Name: Debio1452-NH2 HCl
Rating: 5 (10 reviews)

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HIT ID:HIT219159070
Cas No:
常用名:Debio1452-NH2 HCl
别名:Debio-1452-NH3, Debio-1452-NH2 hydrochloride, Debio-1452-NH2
别名:Debio-1452-NH3, Debio-1452-NH2 hydrochloride, Debio-1452-NH2
IUPAC:3-[(3S,6R,9R,12R,15S,18R,21S,24R,30S,33R,36S,40R)-6,18-bis(3-aminopropyl)-24-benzyl-33-[(R)-carbamoyl(hydroxy)methyl]-12-(carbamoylmethyl)-30,36-bis(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-4,25-dimethyl-40-(4-methylpentyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propanoic acid dihydrochloride
IUPAC:3-[(3S,6R,9R,12R,15S,18R,21S,24R,30S,33R,36S,40R)-6,18-bis(3-aminopropyl)-24-benzyl-33-[(R)-carbamoyl(hydroxy)methyl]-12-(carbamoylmethyl)-30,36-bis(hydroxymethyl)-9-[(1H-indol-3-yl)methyl]-4,25-dimethyl-40-(4-methylpentyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-3-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propanoic acid dihydrochloride
InChI key:VBXUDTFBJRKXBU-JCBBIFMDSA-N

分子式:C73H113Cl2N17O21
分子量:1635.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.[H][C@@]1(NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](CO)NC1=O)[C@@H](O)C(N)=O
SMILES:Cl.Cl.[H][C@@]1(NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCC(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)CNC(=O)[C@H](CO)NC1=O)[C@@H](O)C(N)=O

Debio-1452-NH3作为一种新型高效的FabI抗体—烯酰基载体蛋白还原酶抑制剂，在减轻小鼠体内细菌负担方面表现出色，并能有效救治因临床分离株的铜绿假单胞菌（Acinetobacter baumannii）、肺炎克雷伯菌（Klebsiella pneumoniae）及大肠杆菌（E. coli）引起的致命感染。

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