2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
• 化学式: C₂₁H₁₇NO₃S₂
• 分子量: 395.5
• InChiKey: BPNJKEMCBOUUAM-PZAFVPBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES
  申请人：Wisconsin Alumni Research Foundation

  公开号：EP2178532A2

  公开（公告）日：2010-04-28
• INHIBITORS OF ANTI-APOPTOTIC PROTEINS
  申请人：Burnham Institute for Medical Research

  公开号：EP2214674A1

  公开（公告）日：2010-08-11
• US8415393B2
  申请人：——

  公开号：US8415393B2

  公开（公告）日：2013-04-09
• [EN] ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES<br/>[FR] CIBLAGE DES INTERFACES DE MAINTENANCE DU GÉNOME PAR DES MÉDICAMENTS ANTIBACTÉRIENS
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2009023343A2

  公开（公告）日：2009-02-19

  Methods for the design and identification of novel antimicrobial compounds are provided, as well as antimicrobial compounds identified using these methods. Pharmaceutical compositions that include these antimicrobial compounds are provided as well. The antimicrobial compounds inhibit the binding of a prokaryotic single-stranded DNA binding protein to a polypeptide. In some examples, the prokaryotic single-stranded DNA binding protein is prokaryotic exonuclease I.
• [EN] INHIBITORS OF ANTI-APOPTOTIC PROTEINS<br/>[FR] INHIBITEURS DE PROTÉINES ANTI-APOPTOTIQUES
  申请人：BURNHAM INST MEDICAL RESEARCH

  公开号：WO2009052440A1

  公开（公告）日：2009-04-23

  Various compounds comprising a thiazolidine ring are described as well as the use of such compounds to inhibit at least one BCL-2 protein family member. One of the compounds described has the structure the structure A, wherein each of R1 and R2 comprises hydrogen, a substituted or unsubstituted straightchained aliphatic group, a halogen, an alkoxyl, a halogen-substituted alkyl, a halogensubstituted alkoxyl, hydroxyl, carboxyl, cyano group, an amido group, a substituted or unsubstituted cycloaliphatic group, a substituted or unsubstituted aromatic group, or a substituted or unsubstituted heterocyclic group; X comprises oxygen, sulfur, or imino group; and Z comprises a moiety such as naphthaline or dehydronaphthaline, among others.