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基本描述

英文名称 HSD1590

名称和标识符

INCHI InChI=1S/C20H18BN3O3/c1-27-20-13(6-3-7-15(20)21(25)26)19-12-5-2-4-11(12)18-14-10-22-24-16(14)8-9-17(18)23-19/h3,6-10,25-26H,2,4-5H2,1H3,(H,22,24)
InChi Key WTZMCUOBQPTERK-UHFFFAOYSA-N
Canonical SMILES COc1c(cccc1B(O)O)c1nc2ccc3c(c2c2c1CCC2)cn[nH]3
PubChem CID 139030519

关联配体

Ligand ID 10424
名称 HSD1590
类别 Synthetic organic
学名 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
生物活性评价 HSD1590 inhibits migration of MDA-MB-231 triple negative breast cancer cells in vitro, whereas netarsudil does not . HSD1590 is also less cytotoxic (even at high concentration) towards MDA-MB-231 cells than netarsudi, suggesting potential anti-metastatic action.
评价 HSD1590 is a boronic acid-containing Rho-associated kinase (ROCK) inhibitor . In vitro, it is more potent than at binding to or inhibiting ROCK enzymatic activities.

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参考文献

1. Dayal N, Mikek CG, Hernandez D, Naclerio GA, Yin Chu EF, Carter-Cooper BA, Lapidus RG, Sintim HO.  (2019)  Potently inhibiting cancer cell migration with novel 3H-pyrazolo[4,3-f]quinoline boronic acid ROCK inhibitors..  Eur J Med Chem,  180  (13):  (449-456).  [PMID:31330446]

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