(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide
- CAS编号: 1116571-01-7
- 分子式: C20H21BrN8
- 分子量: 453.3
- PubChem编号: 44477445
有货
英文名称 | (E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide |
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别名 | compound 14 |
英文别名 | compound 14 |
IUPAC Name | (2S)-N'-(3-bromophenyl)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide |
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INCHI | InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1 |
InChi Key | KSECQYDNQYAZMQ-AWEZNQCLSA-N |
Canonical SMILES | CC1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C |
PubChem CID | 44477445 |
分子量 | 453.3 |
ChEMBL Ligand | CHEMBL570126 |
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PubChem CID | 44477445 |
CAS Registry No. | 1116571-01-7 |
Ligand ID | 8151 |
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名称 | compound 14 [PMID: 19831390] |
类别 | Synthetic organic |
学名 | (E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide |
生物活性评价 |
Compound 14 is equipotent for both LIMK isozymes, and is selective for LIMK1/2 compared to the Rho-associated protein kinases ROCK1 and -2 |
评价 |
Compound 14 is one of the analogues designed in the search for novel, biologically active LIM domain kinase 2 (LIMK2) inhibitors |
1. Harrison BA, Whitlock NA, Voronkov MV, Almstead ZY, Gu KJ, Mabon R, Gardyan M, Hamman BD, Allen J, Gopinathan S et al.. (2009) Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma.. J Med Chem, 52 (21): (6515-8). [PMID:19831390] |