4-(4-溴-2-甲基苯基)-4-氧代丁酸 | 898767-28-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(4-溴-2-甲基苯基)-4-氧代丁酸
• 英文名称: 4-(4-bromo-2-methylphenyl)-4-oxo-butyric acid
• 英文别名: 4-(4-bromo-2-methylphenyl)-4-oxobutanoic acid；4-(4-bromo-2-methylphenyl)-4-oxobutyric acid
• CAS: 898767-28-7
• 化学式: C₁₁H₁₁BrO₃
• 分子量: 271.111
• InChiKey: QBAFDTBWFLFGDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  4-(4-溴-2-甲基苯基)-4-氧代丁酸 在 三乙基硅烷 、 三氟乙酸 作用下， 反应 7.0h， 以42%的产率得到4-(4-bromo-2-methylphenyl)butanoic acid
  参考文献：
  名称：

  WO2007/76431

  摘要：

  公开号：
• 作为产物：
  描述：

  丁二酸酐 在 异丙基溴化镁 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 以31%的产率得到4-(4-溴-2-甲基苯基)-4-氧代丁酸
  参考文献：
  名称：

  WO2007/76431

  摘要：

  公开号：

文献信息

• MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS
  申请人：Priestley Eldon Scott

  公开号：US20090281139A1

  公开（公告）日：2009-11-12

  The present invention relates generally to novel macrocycles of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, B, L, M, W, Z, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 are as defined herein. These compounds are selective inhibitors of the serine protease coagulation factor VIIa which can be used as medicaments.

  本发明涉及一般的新型大环化合物，其化学式为（I）或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中变量A、B、L、M、W、Z、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如本文中所定义。这些化合物是选择性抑制剂凝血因子VIIa的丝氨酸蛋白酶，可用作药物。
• Macrocyclic factor VIIa inhibitors useful as anticoagulants
  申请人：Bristol-Myers Squibb Company

  公开号：US07592331B2

  公开（公告）日：2009-09-22

  The present invention relates generally to novel macrocycles of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, B, L, M, W, Z, R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are as defined herein. These compounds are selective inhibitors of the serine protease coagulation factor VIIa which can be used as medicaments.

  本发明涉及一般性地与式(I)的新型大环化合物相关，或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其中变量A、B、L、M、W、Z、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10在此定义。这些化合物是丝氨酸蛋白酶凝血因子VIIa的选择性抑制剂，可用作药物。
• COMPOUND
  申请人：VICKER Nigel

  公开号：US20090186900A1

  公开（公告）日：2009-07-23

  There is provided a compound of Formula I wherein the various symbols are as defined in the description, and a method of manufacturing a medicament for use in the therapy of a condition or disease associated with 17β-hydroxysteroid dehydrogenase (17β-HSD), comprising a compound of Formula I.

  提供了一种式子为I的化合物，其中各符号的定义如说明书所述，并提供一种制造药物的方法，用于治疗与17β-羟基类固醇脱氢酶（17β-HSD）相关的疾病或病症，包括化合物I。
• WO2007/96647
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel inhibitors of 17β-hydroxysteroid dehydrogenase type 1: Templates for design
  作者：Gillian M. Allan、Nigel Vicker、Harshani R. Lawrence、Helena J. Tutill、Joanna M. Day、Marion Huchet、Eric Ferrandis、Michael J. Reed、Atul Purohit、Barry V.L. Potter

  DOI：10.1016/j.bmc.2008.02.059

  日期：2008.4

  The 17 beta-hydroxysteroid dehydrogenases (17 beta-HSDs) catalyze the interconversion between the oxidized and reduced forms of androgens and estrogens at the 17 position. The 17 beta-HSD type 1 enzyme (17 beta-HSD1) catalyzes the reduction of estrone (E1) to estradiol and is expressed in malignant breast cells. Inhibitors of this enzyme thus have potential as treatments for hormone dependent breast cancer. Syntheses and biological evaluation of novel non-steroidal inhibitors designed to mimic the E1 template are reported using information from potent steroidal inhibitors. Of the templates investigated biphenyl ethanone was promising and led to inhibitors with IC50 values in the low micromolar range. (C) 2008 Elsevier Ltd. All rights reserved.