2-allylphenyl 4-fluorophenethylcarbamate | 1361454-05-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-allylphenyl 4-fluorophenethylcarbamate
• 英文别名: (2-prop-2-enylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
• CAS: 1361454-05-8
• 化学式: C₁₈H₁₈FNO₂
• 分子量: 299.345
• InChiKey: SSUMHPYIVMVARM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES
  申请人：Cravatt Benjamin

  公开号：US20130281453A1

  公开（公告）日：2013-10-24

  Serine hydrolases are implicated in malconditions such as cancer, central nervous system disorders, cardiovascular disorders, obesity, and metabolic disorders. Many serine hydrolases expressed in proteomic libraries are of unknown function in vivo. Compounds identified through library versus library screening can be used for treatment of malconditions associated with the specific serine hydrolase KIAA1363 (also known as AADACL1). A library of inhibitors of KIAA1363 was prepared and candidate compounds were identified as a potent inhibitors having submicromolar IC 50 values. An exemplary compound of the invention was shown to be an effective inhibitor of prostate cancer pathogenesis. Other inhibitory compounds of the invention comprising fluorophore groups are shown to be effective in spatial and temporal localization of the serine hydrolase in cells and tissues.

  丝氨酸水解酶与恶性疾病如癌症、中枢神经系统疾病、心血管疾病、肥胖和代谢性疾病有关。在蛋白质组图书馆中表达的许多丝氨酸水解酶在体内的功能尚不清楚。通过图书馆与图书馆的筛选鉴定出的化合物可用于治疗与特定丝氨酸水解酶KIAA1363（也称为AADACL1）相关的疾病。制备了一种KIAA1363抑制剂库，并鉴定出候选化合物作为具有亚微米IC50值的有效抑制剂。本发明的一种示例化合物被证明是前列腺癌发病的有效抑制剂。本发明的其他抑制性化合物包括荧光团，被证明对细胞和组织中的丝氨酸水解酶的时空定位具有有效作用。
• US9249128B2
  申请人：——

  公开号：US9249128B2

  公开（公告）日：2016-02-02
• [EN] ANTI-CANCER SERINE HYDROLASE INHIBITORY CARBAMATES<br/>[FR] CARBAMATES INHIBITEURS DE SÉRINE HYDROLASES POUR LUTTER CONTRE LE CANCER
  申请人：CRAVATT BENJAMIN

  公开号：WO2012058115A2

  公开（公告）日：2012-05-03

  Serine hydrolases are implicated in malconditions such as cancer, central nervous system disorders, cardiovascular disorders, obesity, and metabolic disorders. Many serine hydrolases expressed in proteomic libraries are of unknown function in vivo. Compounds identified through library versus library screening can be used for treatment of malconditions associated with the specific serine hydrolase KIAA1363 (also known as AADACL1). A library of inhibitors of KIAA1363 was prepared and candidate compounds were identified as a potent inhibitors having submicromolar IC50 values. An exemplary compound of the invention was shown to be an effective inhibitor of prostate cancer pathogenesis. Other inhibitory compounds of the invention comprising fluorophore groups are shown to be effective in spatial and temporal localization of the serine hydrolase in cells and tissues.