CAS 173997-05-2|Nepicastat

Introduction：Basic information about CAS 173997-05-2|Nepicastat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

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

Common Name	Nepicastat
CAS Number	173997-05-2	Molecular Weight	295.351
Density	1.4±0.1 g/cm3	Boiling Point	401.8±55.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₅F₂N₃S	Melting Point	/
MSDS	/	Flash Point	196.8±31.5 °C

Names

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

Nepicastat BiologicalActivity

Description	Nepicastat (SYN117; RS-25560-197) 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 (SYN117; RS-25560-197) 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

Density	1.4±0.1 g/cm3
Boiling Point	401.8±55.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₅F₂N₃S
Molecular Weight	295.351
Flash Point	196.8±31.5 °C
Exact Mass	295.095459
PSA	78.83000
LogP	2.31
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.665
InChIKey	YZZVIKDAOTXDEB-JTQLQIEISA-N
SMILES	NCc1c[nH]c(=S)n1C1CCc2c(F)cc(F)cc2C1
Storage condition	2-8℃

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

(S)-5-(Aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione

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

S1583_Selleck

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

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

SYN-117

Nepitat

nepicastat

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