5-氨基苯并[b]噻吩-2-羧酸乙酯盐酸盐 | 383675-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 5-氨基苯并[b]噻吩-2-羧酸乙酯盐酸盐
• 英文名称: ethyl 5-amino-1-benzothiophene-2-carboxylate hydrochloride
• 英文别名: Ethyl 5-aminobenzo[b]thiophene-2-carboxylate hydrochloride；ethyl 5-amino-1-benzothiophene-2-carboxylate;hydrochloride
• CAS: 383675-06-7
• 化学式: C₁₁H₁₁NO₂S*ClH
• mdl: MFCD13185121
• 分子量: 257.741
• InChiKey: FYOHZTNBIRTITI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.51
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  hydrogen chloride-ethyl acetate 、 (3R,5S)-N-propanesulfonyl-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetamide 、 5-硝基苯并[b]噻吩-2-羧酸乙酯 生成 5-氨基苯并[b]噻吩-2-羧酸乙酯盐酸盐
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Benzoxazepinones and their use as squalene synthase inhibitors
  申请人：——

  公开号：US20030078251A1

  公开（公告）日：2003-04-24

  There is disclosed a compound represented by the formula [I]: 1 wherein R 1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, —X 1 —X 2 —Ar—X 3 —X 4 —COOH (wherein X 1 and X 4 are a bond or alkylene group, X 2 and X 3 are a bond, —O—, —S—, Ar is divalent aromatic group etc.), R 2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R 3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.

  披露了一种由公式[I]表示的化合物： 1 其中R 1 是可选地取代的1-羧乙基，可选地取代的烷基亚磺酰基，可选地取代的(羧基环烷基)-烷基，—X 1 —X 2 —Ar—X 3 —X 4 —COOH(其中X 1 和X 4 是键或亚烷基，X 2 和X 3 是键，—O—，—S—，Ar是二价芳香族等)，R 2 是可选地由酰氧基和/或羟基取代的烷基，R 3 是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇活性和降低甘油三酯活性，用于预防或治疗高脂血症。
• BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1292585A1

  公开（公告）日：2003-03-19
• [EN] BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS<br/>[FR] BENZOXAZEPINONES ET LEUR UTILISATION COMME INHIBITEURS DE LA SQUALENE SYNTHASE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2001098282A1

  公开（公告）日：2001-12-27

  There is disclosed a compound represented by formula (I), wherein R1 is optionally substituted 1-carboxyethyl group, optionally substituted alkyl-sulfonyl group, optionally substituted (carboxy-cycloalkyl)-alkyl group, -X?1-X2-Ar-X3-X4¿-COOH (wherein X?1 and X4¿ are a bond or alkylene group, X?2 and X3¿ are a bond, -O-, -S-, Ar is divalent aromatic group , etc.), R2 is alkyl group optionally substituted with alkanoyloxy group and/or hydroxy group, R3 is alkyl group, and W is halogen atom, etc., or a salt thereof. The compound has the cholesterol lowering activity and the triglyceride lowering activity and is useful for preventing and/or treating hyperlipidemia.