CAS 170151-24-3|Nepicastat (hydrochloride)

Introduction：Basic information about CAS 170151-24-3|Nepicastat (hydrochloride), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Nepicastat (hydrochloride) BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Synonyms

Common Name	Nepicastat (hydrochloride)
CAS Number	170151-24-3	Molecular Weight	331.812
Density	/	Boiling Point	/
Molecular Formula	C₁₄H₁₆ClF₂N₃S	Melting Point	/
MSDS	ChineseUSA	Flash Point	/
Symbol	GHS07	Signal Word	Warning

Names

Name	4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione,hydrochloride
Synonym	More Synonyms

Nepicastat (hydrochloride) BiologicalActivity

Description	Nepicastat Hcl(SYN117 Hcl; RS-25560-197 Hcl) is a dopamine beta-hydroxylase inhibitor with IC50 of 8.5 ± 0.8 and 9.0 ± 0.8 nM for bovine and human, respectively. IC50 value: 8.5/9.0 nM(bovine/human dopamine beta-hydroxylase)Dopamine beta-hydroxylase is an enzyme that catalyzes the conversion of dopamine to norepinephrine. Nepicastat (SYN117; RS-25560-197) has been studied as a possible treatment for congestive heart failure, and appears to be well tolerated as such.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Dopamine β-hydroxylaseResearch Areas >>Cardiovascular Disease
References	[1]. Stanley WC, et al. Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-beta-hydroxylase.Br J Pharmacol. 1997 Aug;121(8):1803-9. [2]. Stanley WC, et al. Cardiovascular effects of nepicastat (RS-25560-197), a novel dopamine beta-hydroxylase inhibitor.J Cardiovasc Pharmacol. 1998 Jun;31(6):963-70. [3]. Sabbah HN, et al. Effects of dopamine beta-hydroxylase inhibition with nepicastat on the progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure.Circulation. 2000 Oct 17;102(16):1990-5. [4]. Beliaev A, et al. Synthesis and biological evaluation of novel, peripherally selective chromanyl imidazolethione-based inhibitors of dopamine beta-hydroxylase.J Med Chem. 2006 Feb 9;49(3):1191-7.

Description

Nepicastat Hcl(SYN117 Hcl; RS-25560-197 Hcl) is a dopamine beta-hydroxylase inhibitor with IC50 of 8.5 ± 0.8 and 9.0 ± 0.8 nM for bovine and human, respectively. IC50 value: 8.5/9.0 nM(bovine/human dopamine beta-hydroxylase)Dopamine beta-hydroxylase is an enzyme that catalyzes the conversion of dopamine to norepinephrine. Nepicastat (SYN117; RS-25560-197) has been studied as a possible treatment for congestive heart failure, and appears to be well tolerated as such.

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>Dopamine β-hydroxylaseResearch Areas >>Cardiovascular Disease

References

[1]. Stanley WC, et al. Catecholamine modulatory effects of nepicastat (RS-25560-197), a novel, potent and selective inhibitor of dopamine-beta-hydroxylase.Br J Pharmacol. 1997 Aug;121(8):1803-9.

[2]. Stanley WC, et al. Cardiovascular effects of nepicastat (RS-25560-197), a novel dopamine beta-hydroxylase inhibitor.J Cardiovasc Pharmacol. 1998 Jun;31(6):963-70.

[3]. Sabbah HN, et al. Effects of dopamine beta-hydroxylase inhibition with nepicastat on the progression of left ventricular dysfunction and remodeling in dogs with chronic heart failure.Circulation. 2000 Oct 17;102(16):1990-5.

[4]. Beliaev A, et al. Synthesis and biological evaluation of novel, peripherally selective chromanyl imidazolethione-based inhibitors of dopamine beta-hydroxylase.J Med Chem. 2006 Feb 9;49(3):1191-7.

Chemical & Physical Properties

Molecular Formula	C₁₄H₁₆ClF₂N₃S
Molecular Weight	331.812
Exact Mass	331.072144
PSA	78.83000
LogP	4.51490
Appearance of Characters	white to beige
InChIKey	DIPDUAJWNBEVOY-PPHPATTJSA-N
SMILES	Cl.NCc1c[nH]c(=S)n1C1CCc2c(F)cc(F)cc2C1
Storage condition	?20°C
Water Solubility	DMSO: soluble10mg/mL, clear

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Hazard Codes	Xi
Risk Phrases	36/37/38
Safety Phrases	26
RIDADR	NONH for all modes of transport

Synonyms

Nepicastat HCl

SYN117

Nepitat HCl

Nepicastat hydrochloride

UNII-3WK068D17I

5-(Aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-2H-imidazole-2-thione hydrochloride (1:1)

2H-Imidazole-2-thione, 5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-, hydrochloride (1:1)

Nepitat hydrochloride

Nepicastat (hydrochloride)

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