CAS 116539-59-4|Duloxetine

Introduction：Basic information about CAS 116539-59-4|Duloxetine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Duloxetine BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Synonyms

Common Name	Duloxetine
CAS Number	116539-59-4	Molecular Weight	297.41
Density	1.2±0.1 g/cm3	Boiling Point	466.2±40.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₉NOS	Melting Point	/
MSDS	/	Flash Point	235.7±27.3 °C

Names

Name	(S)-duloxetine
Synonym	More Synonyms

Duloxetine BiologicalActivity

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 TransporterResearch 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.

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 TransporterResearch 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

Density	1.2±0.1 g/cm3
Boiling Point	466.2±40.0 °C at 760 mmHg
Molecular Formula	C₁₈H₁₉NOS
Molecular Weight	297.41
Flash Point	235.7±27.3 °C
PSA	49.50000
LogP	3.73
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.628
InChIKey	ZEUITGRIYCTCEM-KRWDZBQOSA-N
SMILES	CNCCC(Oc1cccc2ccccc12)c1cccs1
Storage condition	-20℃

Safety Information

HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine

(S)-N-Methyl-γ-(1-naphthalenyloxy)-2-thiophenepropanamine

2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (γS)-

(S)-duloxetine

(S)-N-Methyl-g-(1-naphthalenyloxy)-2-thiophenepropanamine

2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (S)-

(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

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