Name: Glycyl H-1152 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT214320612
Cas No:913844-45-8
常用名:Glycyl H-1152 hydrochloride
IUPAC:2-amino-1-[(3S)-3-methyl-4-[(4-methylisoquinolin-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethan-1-one dihydrochloride
IUPAC:2-amino-1-[(3S)-3-methyl-4-[(4-methylisoquinolin-5-yl)sulfonyl]-1,4-diazepan-1-yl]ethan-1-one dihydrochloride
InChI key:ILDBNQGLZFSHQZ-UTLKBRERSA-N

分子式:C18H26Cl2N4O3S
分子量:449.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(C)c12)C(=O)CN
SMILES:Cl.Cl.C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(C)c12)C(=O)CN

Two Rho-associated kinases (ROCK), ROCK-I and ROCK-II, act downstream of the G protein Rho to regulate cytoskeletal stability. The ROCKs play important roles in diverse cellular functions including cell adhesion and proliferation, smooth muscle contraction, and stem cell renewal. Glycyl-H-1152 is a selective and potent ROCK inhibitor (IC50 = 11.8 nM for ROCK-II). It is a glycylated isoquinoline compound derived from the therapeutically-important ROCK inhibitor HA-1077 (Fasudil) and exhibits better specificity. Thus, it poorly inhibits Ca2+/calmodulin-dependent kinase type II, protein kinase (PK) G, and Aurora A (IC50 = 2.57, 2.35, and 3.26 μM, respectively) as well as PKA or PKC (IC50 ≥ 10 μM for each). The potency of Glycyl-H-1152 is superior to that of other ROCK inhibitors, including Y-27632 (Ki = 220 nM) and HA-1077 (IC50 = 158 nM).

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