产品名称

英文名称：Nepicastat

同义词

Nepicastat、173997-05-2、SYN117、Nepicastat [INN]、SYN-117、4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione、(S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-1H-IMIDAZOLE-2(3H)-THIONE、VPG12K45

产品性质

CAS编号：173997-05-2

分子式：C14H15F2N3S

分子量：295.35

PubChem编号：9796181

英文别名：Nepicastat|173997-05-2|SYN117|Nepicastat [INN]|SYN-117|4-(aminomethyl)-3-[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-imidazole-2-thione|(S)-5-(AMINOMETHYL)-1-(5,7-DIFLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YL)-1H-IMIDAZOLE-2(3H)-THIONE|VPG12K45

英文名称：Nepicastat

生化机理：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. 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.

储存温度：-20°C储存

运输条件：超低温冰袋运输

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

INCHI：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

InChi Key：YZZVIKDAOTXDEB-JTQLQIEISA-N

Canonical SMILES：C1CC2=C(CC1N3C(=CNC3=S)CN)C=C(C=C2F)F

Isomeric SMILES：C1CC2=C(C[C@H]1N3C(=CNC3=S)CN)C=C(C=C2F)F

PubChem CID：9796181

CAS Registry No.：173997-05-2

Wikipedia：Nepicastat

ChEMBL Ligand：CHEMBL1188395

溶解性：DMSO

产品包装