WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H414330
CAS#: 173997-05-2 (free base)
Description: Nepicastat Free Base 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 such.
Hodoodo Cat#: H414330
Name: Nepicastat Free Base
CAS#: 173997-05-2 (free base)
Chemical Formula: C14H15F2N3S
Exact Mass: 295.10
Molecular Weight: 295.352
Elemental Analysis: C, 56.93; H, 5.12; F, 12.86; N, 14.23; S, 10.85
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Related CAS #: 170151-24-3 (HCl) 173997-05-2 (free base) 195881-94-8 (HCl R isomer) 177645-08-8 (HCl hydrate)
Synonym: Nepicastat Free Base
IUPAC/Chemical Name: 5-(Aminomethyl)-1-((S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthyl)-4-imidazoline-2-thione
InChi Key: YZZVIKDAOTXDEB-JTQLQIEISA-N
InChi Code: InChI=1S/C14H15F2N3S/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)/t10-/m0/s1
SMILES Code: S=C1NC=C(CN)N1[C@@H]2CC3=C(C(F)=CC(F)=C3)CC2
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Catelas DN, Serrão MP, Soares-Da-Silva P. Effects of nepicastat upon dopamine-β-hydroxylase activity and dopamine and norepinephrine levels in the rat left ventricle, kidney, and adrenal gland. Clin Exp Hypertens. 2020;42(2):118-125. doi: 10.1080/10641963.2019.1583245. Epub 2019 Mar 1. PMID: 30821508.
2: Colombo G, Maccioni P, Vargiolu D, Loi B, Lobina C, Zaru A, Carai MA, Gessa GL. The dopamine β-hydroxylase inhibitor, nepicastat, reduces different alcohol- related behaviors in rats. Alcohol Clin Exp Res. 2014 Sep;38(9):2345-53. doi: 10.1111/acer.12520. PMID: 25257286.
3: 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. PMID: 23303068; PMCID: PMC3629392.
4: Stanley WC, Lee K, Johnson LG, Whiting RL, Eglen RM, Hegde SS. Cardiovascular effects of nepicastat (RS-25560-197), a novel dopamine beta-hydroxylase inhibitor. J Cardiovasc Pharmacol. 1998 Jun;31(6):963-70. doi: 10.1097/00005344-199806000-00023. PMID: 9641484.
5: De La Garza R 2nd, Bubar MJ, Carbone CL, Moeller FG, Newton TF, Anastasio NC, Harper TA, Ware DL, Fuller MA, Holstein GJ, Jayroe JB, Bandak SI, Reiman KZ, Neale AC, Pickford LB, Cunningham KA. Evaluation of the dopamine β-hydroxylase (DβH) inhibitor nepicastat in participants who meet criteria for cocaine use disorder. Prog Neuropsychopharmacol Biol Psychiatry. 2015 Jun 3;59:40-48. doi: 10.1016/j.pnpbp.2015.01.009. Epub 2015 Jan 17. PMID: 25602710; PMCID: PMC4777897.
6: 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. PMID: 23561307.
7: 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. PMID: 23289939.
8: Stanley WC, Li B, Bonhaus DW, Johnson LG, Lee K, Porter S, Walker K, Martinez G, Eglen RM, Whiting RL, Hegde SS. 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. doi: 10.1038/sj.bjp.0701315. PMID: 9283721; PMCID: PMC1564872.
9: Bonifácio MJ, Sousa F, Neves M, Palma N, Igreja B, Pires NM, Wright LC, Soares-da-Silva P. Characterization of the interaction of the novel antihypertensive etamicastat with human dopamine-β-hydroxylase: comparison with nepicastat. Eur J Pharmacol. 2015 Mar 15;751:50-8. doi: 10.1016/j.ejphar.2015.01.034. Epub 2015 Jan 29. PMID: 25641750.
10: Loureiro AI, Bonifácio MJ, Fernandes-Lopes C, Pires N, Igreja B, Wright LC, Soares-da-Silva P. Role of P-glycoprotein and permeability upon the brain distribution and pharmacodynamics of etamicastat: a comparison with nepicastat. Xenobiotica. 2015;45(9):828-39. doi: 10.3109/00498254.2015.1018985. Epub 2015 Jun 10. PMID: 25915108.
