Duloxetine structure, CAS 116539-59-4

Duloxetine

CAS Number116539-59-4

Synonyms(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine; (S)-N-Methyl-γ-(1-naphthalenyloxy)-2-thiophenepropanamine; (S)-duloxetine; (S)-N-Methyl-g-(1-naphthalenyloxy)-2-thiophenepropanamine; (3S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)-1-propanamine; DULOXETIN; Duloxetine; (+)-(S)-N-methyl-g-(1-naphthyloxy)-2-thiophenepropylamine; Intermediates; Cymbalta; DULOXETINE HCI; (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine; DULOXETINE-D3; N-methyl-3-napthalen-1-oxy-3-thiophen-2-yl-1-amine; (3S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; Yentreve

Molecular FormulaC18H19O1N1S1

Molecular Weight297.42

Purity98.00%

Density1.2±0.1 g/cm3

Boiling Point466.2±40.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9051030 Purity: 98.00%
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Quality Control of [ 116539-59-4 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number116539-59-4
Catalog No.2A-9051030
Chinese Name度洛西汀
Synonyms(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine; (S)-N-Methyl-γ-(1-naphthalenyloxy)-2-thiophenepropanamine; (S)-duloxetine; (S)-N-Methyl-g-(1-naphthalenyloxy)-2-thiophenepropanamine; (3S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)-1-propanamine; DULOXETIN; Duloxetine; (+)-(S)-N-methyl-g-(1-naphthyloxy)-2-thiophenepropylamine; Intermediates; Cymbalta; DULOXETINE HCI; (S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine; DULOXETINE-D3; N-methyl-3-napthalen-1-oxy-3-thiophen-2-yl-1-amine; (3S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; Yentreve
Molecular FormulaC18H19O1N1S1
Molecular Weight297.42
Purity98.00
Density1.2±0.1 g/cm3
Boiling Point466.2±40.0 °C at 760 mmHg
Appearancepowder
Storage Condition-20℃
ApplicationDuloxetine is a serotonin-norepinephrine reuptake inhibitor with a Ki of 4.6 nM and can act on generalized anxiety disorder.
HTC2934999090
MDL NumberMFCD06801358
SMILESCNCCC(Oc1cccc2ccccc12)c1cccs1
InChIInChI=1S/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
InChI KeyZEUITGRIYCTCEM-KRWDZBQOSA-N
MSDSmsds/51030_1_116539_59_4.pdf
Use ofDuloxetine is a serotonin-norepinephrine reuptake inhibitor with Ki of 4.6 nM, used for treatment of major depressive disorder and generalized anxiety disorder (GAD). Target: SNRIsDuloxetine inhibits the reuptake of serotonin and norepinephrine in the central nervous system. Duloxetine is also considered a less potent inhibitor of dopamine reuptake. However, duloxetine has no significant affinity for dopaminergic, adrenergic, cholinergic, histaminergic, opioid, glutamate, and GABA receptors and can therefore be considered to be a selective reuptake inhibitor at the 5-HT and NA transporters. Duloxetine undergoes extensive metabolism, but the major circulating metabolites do not contribute significantly to the pharmacologic activity. Major depressive disorder is believed to be due in part to an increase in pro-inflammatory cytokines within the central nervous system. Antidepressants including ones with a similar mechanism of action as duloxetine, i.e. serotonin metabolism inhibition, cause a decrease in proinflammatory cytokine activity and an increase in anti-inflammatory cytokines; this mechanism may apply to duloxetine in its effect on depression but research on cytokines specific to duloxetine therapy is lacking [1]. The analgesic properties of duloxetine in the treatment of diabetic neuropathy and central pain syndromes such as fibromyalgia are believed to be due to sodium ion channel blockade [2]. Properties Name (S)-duloxetine Synonym More Synonyms Duloxetine Biological Activity Description Duloxetine is a serotonin-norepinephrine reuptake inhibitor with Ki of 4.6 nM, used for treatment of major depressive disorder and generalized anxiety disorder (GAD). Target: SNRIsDuloxetine inhibits the reuptake of serotonin and norepinephrine in the central nervous system. Duloxetine is also considered a less potent inhibitor of dopamine reuptake. However, duloxetine has no significant affinity for dopaminergic, adrenergic, cholinergic, histaminergic, opioid, glutamate, and GABA receptors and can therefore be considered to be a selective reuptake inhibitor at the 5-HT and NA transporters. Duloxetine undergoes extensive metabolism, but the major circulating metabolites do not contribute significantly to the pharmacologic activity. Major depressive disorder is believed to be due in part to an increase in pro-inflammatory cytokines within the central nervous system. Antidepressants including ones with a similar mechanism of action as duloxetine, i.e. serotonin metabolism inhibition, cause a decrease in proinflammatory cytokine activity and an increase in anti-inflammatory cytokines; this mechanism may apply to duloxetine in its effect on depression but research on cytokines specific to duloxetine therapy is lacking [1]. The analgesic properties of duloxetine in the treatment of diabetic neuropathy and central pain syndromes such as fibromyalgia are believed to be due to sodium ion channel blockade [2]. Related Catalog Signaling Pathways >> Neuronal Signaling >> Serotonin Transporter Research Areas >> Neurological Disease References [1]. De Berardis, D., et al., The effect of newer serotonin-noradrenalin antidepressants on cytokine production: a review of the current literature. Int J Immunopathol Pharmacol, 2010. 23(2): p. 417-22. [2]. Wang, S.Y., J. Calderon, and G. Kuo Wang, Block of neuronal Na+ channels by antidepressant duloxetine in a state-dependent manner. Anesthesiology, 2010. 113(3): p. 655-65. Chemical & Physical Properties Molecular Formula C18H19NOS PSA 49.50000 Index of Refraction 1.628 InChIKey ZEUITGRIYCTCEM-KRWDZBQOSA-N Storage condition -20℃ Safety Information HS Code 2934999090
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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