Nutrabiotech Duloxetine 98% 1G Powder, high purity Duloxetine powder, SNRI dual reuptake inhibitor, SERT/NET blocker, neuropsychiatric and neuropathic pain research raw material

Premium Duloxetine CAS 116539‑59‑4 crystalline powder

High‑purity Duloxetine powder CAS 116539‑59‑4, a potent selective serotonin‑norepinephrine reuptake inhibitor (SNRI). This off‑white crystalline biochemical raw‑material elevates central serotonin and norepinephrine concentration. It is widely used for laboratory research on major‑depressive‑disorder, generalized anxiety disorder, neuropathic pain, fibromyalgia and chronic musculoskeletal pain. Every‑batch undergoes strict HPLC purity test, bulk supply and customized packaging are available for global neuropharmacology researchers.

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Duloxetine (CAS 116539-59-4) SNRI Powder | Serotonin-Norepinephrine Reuptake Inhibitor, Cymbalta API Reference Standard

Duloxetine CAS 116539-59-4
Dual Serotonin-Norepinephrine Reuptake Inhibitor (SNRI)

Duloxetine (LY248686, the active molecule of Cymbalta) is a balanced dual reuptake inhibitor of the serotonin transporter (SERT/SLC6A4) and the norepinephrine transporter (NET/SLC6A2). By raising synaptic 5-HT and noradrenaline in both limbic and descending spinal pain-modulating pathways, it produces combined antidepressant, anxiolytic and analgesic effects - the pharmacological basis for its use in major depressive disorder, diabetic peripheral neuropathic pain, fibromyalgia, chronic musculoskeletal pain, generalized anxiety disorder and stress urinary incontinence research.

SNRI SERT Inhibitor NET Inhibitor Antidepressant Neuropathic Pain Fibromyalgia Analgesia Anxiolytic
Request a Quote Technical Specs
297.42
MW (C18H19NOS)
≥98%
Purity (HPLC)
Dual-target
SERT + NET

Molecular Information

Name: Duloxetine (free base)
CAS: 116539-59-4
Formula: C18H19NOS
MW: 297.42 g/mol
SMILES: CNCC[C@H](Oc1cccc2ccccc12)
  c1cccs1
InChIKey: ZEUITGRIYCTCEM
  -KRWDZBQOSA-N
Purity: ≥98% (HPLC)
Appearance: White to off-white powder
Solubility: DMSO (soluble); ethanol
Synonyms: LY248686 / Cymbalta /
  (S)-Duloxetine
Storage: -20°C, sealed, dry, dark
🧪
CAS Number
116539-59-4
⚖️
Molecular Weight
297.42
🎯
Primary Activity
Dual SNRI
✅
Purity
≥98%

Duloxetine Technical Specifications & Certificate of Analysis Parameters

Complete physicochemical properties and QC release parameters for research-grade duloxetine free base (CAS 116539-59-4)

📋 Physicochemical Properties

  • Product NameDuloxetine
  • IUPAC Name(3S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine
  • CAS Number (free base)116539-59-4
  • CAS Number (HCl salt)136434-34-9
  • Code NameLY248686
  • Molecular FormulaC18H19NOS
  • Molecular Weight297.42 g/mol
  • SMILESCNCC[C@H](Oc1cccc2ccccc12)c1cccs1
  • InChI1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
  • InChIKeyZEUITGRIYCTCEM-KRWDZBQOSA-N
  • Stereochemistry(S)-enantiomer, single stereocenter
  • AppearanceWhite to off-white powder
  • Melting Point163-168°C (hydrochloride salt)
  • MDL NumberMFCD06801358
  • PubChem CID60835
  • UNII / ATCO5TNM5N07U / N06AX21

🔬 Quality Control & Handling

  • Purity (HPLC)≥98%
  • Chiral Purity≥98% ee (S)-isomer
  • FormPowder
  • Identity1H-NMR / 13C-NMR / LC-MS conforming
  • Residual SolventsMeets ICH Q3C limits
  • Loss on Drying≤0.5%
  • Storage Condition-20°C, sealed, protect from light and moisture
  • Solution Storage-80°C 6 months / -20°C 1 month in DMSO
  • SolubilityDMSO ~50 mg/mL; ethanol soluble; water insoluble (free base)
  • QC DocumentationCOA / HPLC / NMR / MS / MSDS
  • Pack Sizes1g / 5g / 10g / 100g / 1KG
  • Stock StatusIn Stock
  • Use StatementResearch use only; not for human or clinical use

Molecular Targets: SERT, NET and the Descending Pain Pathway

Duloxetine binds monoamine transporters with nanomolar affinity and shows a balanced SERT/NET profile that distinguishes it from SSRIs and from dose-dependent SNRIs such as venlafaxine

🧬 Serotonin Transporter (SERT / SLC6A4) ⚡ Norepinephrine Transporter (NET / SLC6A2) 🧠 Dopamine Transporter (DAT, weak) 🔪 Descending 5-HT/NE Spinal Inhibition 🌟 Nav1.7 Sodium Channel (state-dependent block) 💉 Pudendal Motor Neuron / Onuf's Nucleus 🔬 CYP1A2 & CYP2D6 Substrate 💧 CYP2D6 Moderate Inhibitor

How Duloxetine Works: From Transporter Blockade to Analgesia and Mood Elevation

A single molecule engaging two monoamine transporters translates into two clinically distinct outcomes - antidepressant/anxiolytic activity and centrally mediated analgesia

1

1. Dual Transporter Blockade

Duloxetine occupies the substrate-binding site of both the serotonin transporter (SERT, Ki ≈ 0.8 nM) and the norepinephrine transporter (NET, Ki ≈ 7.5 nM), preventing presynaptic reuptake. Affinity for DAT is far weaker, and there is negligible binding at muscarinic, histaminergic, adrenergic, dopaminergic, opioid, glutamate and GABA receptors.

2

2. Elevated Synaptic 5-HT and NE

Blocked reuptake increases extracellular serotonin and noradrenaline in the prefrontal cortex, hippocampus and limbic circuits. Sustained elevation drives downstream adaptive changes - 5-HT1A autoreceptor desensitization, increased BDNF signalling and enhanced neuroplasticity - the classical delayed antidepressant response.

3

3. Descending Pain Inhibition

In the dorsal horn of the spinal cord, higher 5-HT and NE tone in descending bulbospinal pathways strengthens endogenous analgesia and dampens nociceptive transmission from peripheral C and A-delta fibres. State-dependent blockade of Nav1.7/Nav1.4 sodium channels contributes additional antinociceptive activity, explaining efficacy in diabetic neuropathy and fibromyalgia models independent of mood.

4

4. Urethral Sphincter Tone

In Onuf's nucleus of the sacral spinal cord, increased 5-HT and NE enhance pudendal motor neuron output to the external urethral sphincter during the storage phase, increasing sphincter contractility - the mechanistic rationale for stress urinary incontinence research.

5

5. Hepatic Metabolism

Duloxetine is extensively metabolised by CYP1A2 (major) and CYP2D6 (secondary) to inactive hydroxylated and conjugated metabolites. Circulating metabolites do not contribute meaningfully to pharmacology, and duloxetine itself is a moderate CYP2D6 inhibitor - a key consideration in drug-drug interaction studies.

6

6. Functional Readouts

In vivo, transporter occupancy translates into reduced immobility in forced-swim and tail-suspension assays, reversal of mechanical allodynia in streptozotocin-diabetic rats, and elevated pain thresholds in reserpine-induced fibromyalgia-like models - standard endpoints in duloxetine research.

Research Applications of Duloxetine: Depression, Neuropathic Pain and Beyond

A single pharmacological tool spanning psychiatry, pain neuroscience, urology and translational pharmacokinetics

🧠

Major Depressive Disorder (MDD)

Duloxetine is a benchmark comparator in antidepressant research. Randomised placebo-controlled studies (Detke et al., J Psychiatr Res 2002) established efficacy at 60 mg once daily on HAMD-17 total scores. Widely used to probe monoamine hypotheses, BDNF/neuroplasticity endpoints and emotional-blunting models.

Psychiatry
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Diabetic Peripheral Neuropathic Pain

One of the most studied indications: duloxetine significantly reduces 24-hour average pain scores in painful diabetic peripheral neuropathy (Goldstein et al., Pain 2005). Standard positive control in streptozotocin-diabetic rodent allodynia and hyperalgesia models.

Neuropathic Pain
🥕

Fibromyalgia Syndrome

Duloxetine reduces pain severity in fibromyalgia with or without comorbid major depression (Arnold et al., Arthritis Rheum 2004), supporting a central sensitisation / descending inhibition mechanism rather than a peripheral anti-inflammatory one. Used in reserpine-induced and acidic-saline fibromyalgia-like models.

Central Sensitisation
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Chronic Musculoskeletal Pain & Osteoarthritis

Investigated in chronic low back pain and knee osteoarthritis pain, where the analgesic effect is largely independent of anti-inflammatory activity. A key tool for dissecting nociceptive versus nociplastic pain mechanisms.

Chronic Pain
💭

Generalized Anxiety Disorder (GAD)

Noradrenergic and serotonergic potentiation in amygdala-prefrontal circuits underlies anxiolytic activity. Duloxetine is used as a reference SNRI in elevated plus-maze, Vogel conflict and social-interaction anxiety paradigms.

Anxiolytic
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Stress Urinary Incontinence (SUI)

Enhanced pudendal nerve output to the external urethral sphincter increases sphincter closure pressure during bladder filling. Duloxetine is the classic pharmacological probe in cat and rat sneeze/cough-induced leak point pressure models of SUI.

Urology
🧬

Monoamine Transporter Pharmacology

Radioligand binding and synaptosomal uptake assays with duloxetine define balanced SERT/NET inhibition, making it a preferred reference ligand for SLC6A4 and SLC6A2 selectivity profiling and transporter occupancy PET tracer validation.

Target Biology
⚡

Ion Channel & Electrophysiology Studies

Duloxetine produces state-dependent block of Nav1.7 and Nav1.4 sodium channels (open-channel IC50 ≈ 0.25 µM), a secondary mechanism of interest in peripheral nerve excitability and local-anaesthetic receptor research.

Electrophysiology
💊

ADME, DDI and Formulation Research

As a CYP1A2/CYP2D6 substrate and moderate CYP2D6 inhibitor with pH-dependent, acid-labile behaviour, duloxetine is a standard model compound for enteric-coated pellet formulation, dissolution testing, bioequivalence and drug-drug interaction studies.

Pharmacokinetics

Key Publications on Duloxetine Pharmacology and Clinical Research

Landmark peer-reviewed studies covering duloxetine transporter pharmacology, depression, neuropathic pain, fibromyalgia and stress urinary incontinence

Authors & TitleJournalYearDOI / PMID
Bymaster FP, Dreshfield-Ahmad LJ, Threlkeld PG, et al. Comparative affinity of duloxetine and venlafaxine for serotonin and norepinephrine transporters in vitro and in vivo, human serotonin receptor subtypes, and other neuronal receptors.Neuropsychopharmacology200110.1016/S0893-133X(01)00298-6
Detke MJ, Lu Y, Goldstein DJ, McNamara RK, Demitrack MA. Duloxetine 60 mg once daily dosing versus placebo in the acute treatment of major depression.Journal of Psychiatric Research200210.1016/S0022-3956(02)00060-2
Goldstein DJ, Lu Y, Detke MJ, Lee TC, Iyengar S. Duloxetine vs. placebo in patients with painful diabetic neuropathy.Pain200510.1016/j.pain.2005.03.029
Arnold LM, Lu Y, Crofford LJ, et al. A double-blind, multicenter trial comparing duloxetine with placebo in the treatment of fibromyalgia patients with or without major depressive disorder.Arthritis & Rheumatism200410.1002/art.20485
Norton PA, Zinner NR, Yalcin I, Bump RC. Duloxetine versus placebo in the treatment of stress urinary incontinence.American Journal of Obstetrics and Gynecology200210.1067/mob.2002.124840
Lunn MPT, Hughes RAC, Wiffen PJ. Duloxetine for treating painful neuropathy, chronic pain or fibromyalgia.Cochrane Database of Systematic Reviews201410.1002/14651858.CD007115.pub3

Available Pack Sizes & Ordering

Research-grade duloxetine free base (CAS 116539-59-4) with full QC documentation - from 1 g analytical packs to 1 KG industrial batches

Pack sizes: 1 g / 5 g / 10 g / 100 g / 1 KG

TierPack SizeStock StatusSuitable ForShipping & Lead Time
Standard1 gIn StockAnalytical reference standard, HPLC method development, in vitro SERT/NET uptake assaysSame/next-day dispatch, ambient with ice pack
Medium5 gIn StockRodent pharmacology, forced-swim and allodynia models, repeat-dose studiesSame/next-day dispatch, ambient with ice pack
Large10 gIn StockMulti-arm in vivo pain studies, formulation screening, stability programmesSame/next-day dispatch, double-bagged foil pouch
Bulk100 gIn StockEnteric-coated pellet development, process optimisation, scale-up trials2-5 business days, drum/foil pack, quote to confirm
Industrial1 KGMade to orderPilot/production scale API supply, CDMO and contract manufacturing programmesBatch delivery, quote to confirm lead time

💡 Reference sizes shown above; for exact pricing and availability please contact us for a quote. Bulk orders qualify for tiered discounts.

Frequently Asked Questions (FAQ)

Everything researchers ask about duloxetine purity, mechanism, SNRI comparisons and handling

What is Duloxetine (CAS 116539-59-4) and how does it work?
Duloxetine is a dual serotonin-norepinephrine reuptake inhibitor (SNRI) with the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Originally developed by Eli Lilly as LY248686 and marketed as Cymbalta, it blocks the serotonin transporter (SERT/SLC6A4) and the norepinephrine transporter (NET/SLC6A2) with nanomolar affinity. The resulting rise in synaptic 5-HT and noradrenaline underlies both its antidepressant/anxiolytic activity in limbic circuits and its analgesic activity through descending spinal pain-inhibitory pathways.
How does duloxetine differ from venlafaxine and other SNRIs?
Both are SNRIs, but their transporter profiles differ. Duloxetine is a balanced dual inhibitor: its affinities for SERT and NET are within roughly an order of magnitude (Ki ≈ 0.8 nM and 7.5 nM respectively in Bymaster et al., Neuropsychopharmacology 2001), so noradrenergic engagement occurs across the whole dose range. Venlafaxine is dose-dependent - at low doses it behaves essentially as an SSRI and only recruits meaningful NET inhibition at higher doses. Duloxetine is also structurally distinct (a naphthyloxy-thiophene propylamine versus venlafaxine's cyclohexanol phenylethylamine) and has a much larger evidence base in chronic pain.
Why does duloxetine relieve pain as well as depression?
The two effects arise from the same transporter blockade acting in different anatomical circuits. Mood effects depend on elevated monoamines in cortico-limbic circuits; analgesia depends on elevated 5-HT and noradrenaline in the descending bulbospinal inhibitory pathways that gate nociceptive input at the spinal dorsal horn. Clinical and preclinical data show pain relief occurs in patients and animals without comorbid depression, and duloxetine additionally produces state-dependent block of Nav1.7 sodium channels (open-channel IC50 ≈ 0.25 µM), adding a peripheral component to its antinociceptive profile.
Which enzymes metabolise duloxetine, and why does it matter?
Duloxetine is extensively metabolised by CYP1A2 (primary) and CYP2D6 (secondary), with subsequent conjugation; circulating metabolites are pharmacologically inactive. This makes it highly susceptible to CYP1A2 inhibition (for example by fluvoxamine or ciprofloxacin) and sensitive to smoking status, since tobacco smoke induces CYP1A2. Duloxetine itself is a moderate CYP2D6 inhibitor, so it is frequently used as a model perpetrator/victim compound in drug-drug interaction and pharmacogenomics research.
Is duloxetine effective for fibromyalgia in research models?
Yes. Duloxetine reduces pain severity in fibromyalgia independently of depressive status (Arnold et al., Arthritis & Rheumatism 2004), which is strong evidence that the mechanism is central sensitisation and descending inhibition rather than peripheral anti-inflammatory action. In the laboratory it is a standard positive control in reserpine-induced and acidic-saline fibromyalgia-like rodent models, where it restores mechanical and thermal thresholds.
What is the difference between duloxetine free base and duloxetine hydrochloride?
This product is the free base (CAS 116539-59-4, C18H19NOS, MW 297.42). The hydrochloride salt (CAS 136434-34-9, MW 333.88) is the pharmaceutical form used in enteric-coated capsules because duloxetine is acid-labile and degrades in gastric acid. For in vitro work the free base dissolves readily in DMSO; if aqueous solubility is required, the hydrochloride salt is usually the more practical choice. Always adjust for the salt factor (1.123) when calculating equimolar doses.
How should duloxetine be dissolved and stored for laboratory use?
Prepare concentrated stock solutions in DMSO (approximately 50 mg/mL), sonicating gently if required. For cell-based assays dilute into medium keeping the final DMSO concentration at or below 0.1% v/v. For in vivo dosing, common vehicles include DMSO/PEG300/Tween-80/saline cascades or 0.5% CMC-Na suspensions. Store the powder at -20°C, sealed and protected from light and moisture; aliquot stock solutions and store at -80°C for up to 6 months or -20°C for up to 1 month, avoiding repeated freeze-thaw cycles.
What is the mechanism behind duloxetine and stress urinary incontinence?
Serotonergic and noradrenergic input to Onuf's nucleus in the sacral spinal cord drives pudendal motor neuron firing to the external urethral sphincter during the bladder storage phase. By increasing 5-HT and NE at these synapses, duloxetine raises sphincter tone and urethral closure pressure, reducing leakage during abrupt abdominal pressure rises. This mechanism was validated in cat and rat sneeze/cough leak-point-pressure models and in randomised clinical studies (Norton et al., Am J Obstet Gynecol 2002); duloxetine is approved for SUI in parts of Europe as Yentreve but not in the United States.
What purity and documentation do you provide with duloxetine?
Every batch is released at ≥98% purity by HPLC with chiral purity confirming the (S)-enantiomer, and ships with a Certificate of Analysis (COA) including HPLC chromatogram, 1H-NMR/13C-NMR structural confirmation and mass spectrometry data. MSDS/SDS, residual solvent data, solubility datasheets and Certificates of Origin are available on request. Custom purity, particle size or salt-form requirements can be quoted.
What pack sizes are available and how fast can you ship?
Standard research packs are 1 g, 5 g, 10 g and 100 g, all held in stock with same or next-day dispatch, plus 1 KG industrial quantities made to order for scale-up and CDMO programmes. Larger multi-kilogram campaigns can be quoted on request. Please contact us for pricing, lead times and export documentation.

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Duloxetine (CAS 116539-59-4) - dual SNRI, C18H19NOS, MW 297.42, purity ≥98% HPLC with COA
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