Nepicastat hydrochloride

Base Information

• Chemical Name: Nepicastat hydrochloride
• CAS No.: 170151-24-3
• Molecular Formula: C14H15 F2 N3 S . Cl H
• Molecular Weight: 331.81752
• European Community (EC) Number: 808-742-4
• UNII: 3WK068D17I
• DSSTox Substance ID: DTXSID00168811
• Wikidata: Q27258141
• NCI Thesaurus Code: C84004
• ChEMBL ID: CHEMBL536282
• Mol file: 170151-24-3.mol

Synonyms:2H-Imidazole-2-thione,5-(aminomethyl)-1-(5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl)-1,3-dihydro-,monohydrochloride, (S)-; 2H-Imidazole-2-thione,5-(aminomethyl)-1-[(2S)-5,7-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-1,3-dihydro-,monohydrochloride (9CI); Nepicastat hydrochloride; RS 25560-197

Chemical Property of Nepicastat hydrochloride

Chemical Property:

• PSA: 78.83000
• LogP: 4.51490
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL, clear
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 331.0721527
• Heavy Atom Count: 21
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

Nepicastat hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(CC1N3C(=CNC3=S)CN)C=C(C=C2F)F.Cl
• Isomeric SMILES: C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F.Cl
• Description: Nepicastat is an inhibitor of dopamine β-hydroxylase (DBH; IC50 = 9 nM for the purified human enzyme). It is selective for DBH over a panel of 12 enzymes and 13 neurotransmitter receptors (IC50s or Kis = >10 μM). Nepicastat dose-dependently reduces norepinephrine content and increases dopamine content in the mesenteric artery, left ventricle, and cerebral cortex in spontaneously hypertensive rats, as well as in the renal artery, left ventricle, and cerebral cortex in beagle dogs. It attenuates increases in diastolic blood pressure and heart rate induced by preganglionic sympathetic nerve stimulation in pithed spontaneously hypertensive rats when administered orally at doses of 10 and 30 mg/kg. Nepicatstat (50 mg/kg) reduces the progressive ratio response for cocaine, but not food or sucrose pellets, in rats. It also reduces reinstatement of cocaine-seeking behavior induced by cues, yohimbine , or foot-shock in rats.
• Uses: Nepicastat Hydrochloride is a potent and selective dopamine β-hydrolase inhibitor. Used in cardiovascular treatment where deficiencies in ventricles results in heart failure.