Nepicastat HCl

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 510304

CAS#: 170151-24-3 (HCl)

Description: Nepicastat, also known as SYN117 and RS-25560-197, is an inhibitor of dopamine beta-hydroxylase, an enzyme that catalyzes the conversion of dopamine to norepinephrine. It has been studied as a possible treatment for congestive heart failure, and appears to be well tolerated. As of 2012, clinical trials to assess nepicastat as a treatment for post-traumatic stress disorder (PTSD) and cocaine dependence have been completed. In Phase 2 study treatment with nepicastat was not effective in relieving PTSD-associated symptoms when compared to placebo.

Chemical Structure

Nepicastat HCl
CAS# 170151-24-3 (HCl)

Theoretical Analysis

MedKoo Cat#: 510304
Name: Nepicastat HCl
CAS#: 170151-24-3 (HCl)
Chemical Formula: C14H15F2N3S
Exact Mass:
Molecular Weight: 295.35
Elemental Analysis: C, 56.93; H, 5.12; F, 12.86; N, 14.23; S, 10.86

Price and Availability

Size Price Availability Quantity
25.0mg USD 150.0 Same Day
50.0mg USD 250.0 Same Day
100.0mg USD 450.0 Same Day
200.0mg USD 850.0 Same Day
500.0mg USD 1850.0 Same Day
1.0g USD 3150.0 Same Day
2.0g USD 5650.0 Same Day
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Related CAS #: 170151-24-3 (HCl)   173997-05-2 (free base)   195881-94-8 (HCl   R isomer)  

Synonym: SYN117; SYN-117; SYN 117; RS25560197; RS25560-197; RS-25560-197; RS 25560-197; Nepicastat; Nepicastat HCl

IUPAC/Chemical Name: (S)-5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazole-2(3H)-thione hydrochloride


InChi Code: InChI=1S/C14H15F2N3S.ClH/c15-9-3-8-4-10(1-2-12(8)13(16)5-9)19-11(6-17)7-18-14(19)20;/h3,5,7,10H,1-2,4,6,17H2,(H,18,20);1H/t10-;/m0./s1

SMILES Code: S=C1NC=C(CN)N1[C@@H]2CC3=C(C(F)=CC(F)=C3)CC2.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 6.0 20.3

Preparing Stock Solutions

The following data is based on the product molecular weight 295.35 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Devoto P, Fattore L, Antinori S, Saba P, Frau R, Fratta W, Gessa GL. Elevated dopamine in the medial prefrontal cortex suppresses cocaine seeking via D1 receptor overstimulation. Addict Biol. 2014 Aug 19. doi: 10.1111/adb.12178. [Epub ahead of print] PubMed PMID: 25135633.

2: Cooper DA, Kimmel HL, Manvich DF, Schmidt KT, Weinshenker D, Howell LL. Effects of pharmacologic dopamine β-hydroxylase inhibition on cocaine-induced reinstatement and dopamine neurochemistry in squirrel monkeys. J Pharmacol Exp Ther. 2014 Jul;350(1):144-52. doi: 10.1124/jpet.113.212357. Epub 2014 May 9. PubMed PMID: 24817036; PubMed Central PMCID: PMC4056266.

3: Manvich DF, DePoy LM, Weinshenker D. Dopamine β-hydroxylase inhibitors enhance the discriminative stimulus effects of cocaine in rats. J Pharmacol Exp Ther. 2013 Dec;347(3):564-73. doi: 10.1124/jpet.113.207746. Epub 2013 Sep 25. PubMed PMID: 24068832; PubMed Central PMCID: PMC3836309.

4: Zaru A, Maccioni P, Colombo G, Gessa GL. The dopamine β-hydroxylase inhibitor, nepicastat, suppresses chocolate self-administration and reinstatement of chocolate seeking in rats. Br J Nutr. 2013 Oct;110(8):1524-33. doi: 10.1017/S0007114513000743. Epub 2013 Apr 8. PubMed PMID: 23561307.

5: Schroeder JP, Epps SA, Grice TW, Weinshenker D. The selective dopamine β-hydroxylase inhibitor nepicastat attenuates multiple aspects of cocaine-seeking behavior. Neuropsychopharmacology. 2013 May;38(6):1032-8. doi: 10.1038/npp.2012.267. Epub 2013 Jan 3. PubMed PMID: 23303068; PubMed Central PMCID: PMC3629392.

6: Devoto P, Flore G, Saba P, Bini V, Gessa GL. The dopamine beta-hydroxylase inhibitor nepicastat increases dopamine release and potentiates psychostimulant-induced dopamine release in the prefrontal cortex. Addict Biol. 2014 Jul;19(4):612-22. doi: 10.1111/adb.12026. Epub 2013 Jan 7. PubMed PMID: 23289939.

7: Gaval-Cruz M, Liles LC, Iuvone PM, Weinshenker D. Chronic inhibition of dopamine β-hydroxylase facilitates behavioral responses to cocaine in mice. PLoS One. 2012;7(11):e50583. doi: 10.1371/journal.pone.0050583. Epub 2012 Nov 27. PubMed PMID: 23209785; PubMed Central PMCID: PMC3507785.

8: Kapoor A, Shandilya M, Kundu S. Structural insight of dopamine β-hydroxylase, a drug target for complex traits, and functional significance of exonic single nucleotide polymorphisms. PLoS One. 2011;6(10):e26509. doi: 10.1371/journal.pone.0026509. Epub 2011 Oct 20. PubMed PMID: 22028891; PubMed Central PMCID: PMC3197665.

9: Schroeder JP, Cooper DA, Schank JR, Lyle MA, Gaval-Cruz M, Ogbonmwan YE, Pozdeyev N, Freeman KG, Iuvone PM, Edwards GL, Holmes PV, Weinshenker D. Disulfiram attenuates drug-primed reinstatement of cocaine seeking via inhibition of dopamine β-hydroxylase. Neuropsychopharmacology. 2010 Nov;35(12):2440-9. doi: 10.1038/npp.2010.127. Epub 2010 Aug 25. PubMed PMID: 20736996; PubMed Central PMCID: PMC2956132.

10: Gaval-Cruz M, Schroeder JP, Liles LC, Javors MA, Weinshenker D. Effects of disulfiram and dopamine beta-hydroxylase knockout on cocaine-induced seizures. Pharmacol Biochem Behav. 2008 Jun;89(4):556-62. doi: 10.1016/j.pbb.2008.02.009. Epub 2008 Feb 12. PubMed PMID: 18329701; PubMed Central PMCID: PMC2386143.

Additional Information

  Related CAS#
170151-24-3 ( Nepicastat HCl);
173997-05-2 ( Nepicastat free base).