S0859 抑制剂 | 1019331-10-2

中文名称:S0859 抑制剂
英文名称:S0859
CAS No.:1019331-10-2
分子式:C29H24ClN3O3S 分子量:530.04
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简介
S0859 是一种选择性的,高亲和力的 Na+/HCO3- 共转运体 (NBC) 抑制剂,可逆性地抑制 NBC 介导的细胞内 pH (pHi) 恢复 (Ki=1.7 μM,完全抑制在 30 μM)。
名称和标识符
  • MDL:MFCD23136018
  • InChIKey:ITDBPOSLOROLMT-UHFFFAOYSA-N
  • Inchi:InChI=1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
  • SMILES:O=C(N(CC1=CC=C(C2=CC=CC=C2S(=O)(NC#N)=O)C=C1)CC3=CC=C(C)C=C3)C4=CC=CC=C4Cl
中文别名
  • 2-氯-N-[[2'-[(氰基氨基)磺酰基][1,1'-联苯]-4-基]甲基]-N-[(4-甲基苯基)甲基]苯甲酰胺
  • S0859 抑制剂
英文别名
  • 2-Chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-benzamide
  • S0859
  • 2-Chloro-N-((2'-(N-cyanosulfamoyl)biphenyl-4-yl)methyl)-N-(4-methylbenzyl)benzamide
  • 2-chloro-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-N-[(4-methylphenyl)methyl]benzamide
  • CS-1092
  • HY-15529
  • QCR-54
  • S-0859
  • 2-Chloro-N-[[2′-[(cyanoamino)sulfonyl][1,1′-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-benzamide
  • (4S)-4-HYDROXY-4-[(3R)-3-HYDROXYBUTYL]-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
  • 2-Chloro-N-((2'-(N-cyanosulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(4-methylbenzyl)benzamide
  • 2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]- S0859
计算特性
  • 氢键供体数量:1
  • 氢键受体数量:6
  • 可旋转化学键数量:9
  • 重原子数量:37
实验特性
  • 溶解度:Insuluble (3.0E-4 g/L) (25 ºC),
  • 密度:1.313±0.06 g/cm3 (20 ºC 760 Torr),
相关文献
  • 1. Synthesis of N-cyano-substituted sulfilimine and sulfoximine derivatives of S0859 and their biological evaluation as sodium bicarbonate co-transport inhibitors Anne-Dorothee Steinkamp,Nico Seling,Soojung Lee,Ebbe Boedtkjer,Carsten Bolm Med. Chem. Commun. 2015 6 2163