ethyl 5-(2-chloroacetyl)-1H-indole-2-carboxylate | 90395-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: ethyl 5-(2-chloroacetyl)-1H-indole-2-carboxylate
• 英文别名: ethyl 5-(chloroacetyl)indole-2-carboxylate
• CAS: 90395-35-0
• 化学式: C₁₃H₁₂ClNO₃
• 分子量: 265.696
• InChiKey: GYZTZMZVRCRVEQ-UHFFFAOYSA-N

物化性质

• 熔点：
  185-187 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  449.1±30.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 5-(2-chloroacetyl)-1H-indole-2-carboxylate 以39%的产率得到
  参考文献：
  名称：

  MURAKAMI, YASUOKI;TANI, MASANOBU;TANAKA, KENJIRO;YOKOYAMA, YUUSAKU, CHEM. AND PHARM. BULL., 36,(1988) N 6, 2023-2035

  摘要：

  DOI：
• 作为产物：
  描述：

  吲哚-2-羧酸乙酯 、 氯乙酰氯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 以100 %的产率得到ethyl 5-(2-chloroacetyl)-1H-indole-2-carboxylate
  参考文献：
  名称：

  ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF

  摘要：

  The present disclosure is directed toward drugs and toxins functionalized by at least one saccharide, sulfate or sulfonate; drug conjugates comprising said drugs or toxins and a cleavable linker; and targeted conjugates comprising said drugs or toxins, cleavable linkers, and targeting moieties. The present disclosure also relates to methods of treating cancers, auto-immune diseases, and inflammatory diseases using the compounds and conjugates of the disclosure.

  公开号：

  US20230190939A1

文献信息

• Indol-amide compounds as beta-amyloid inhbitors
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2722329A1

  公开（公告）日：2014-04-23

  The present invention provides compounds of formula (I) wherein Z, R1, R2, and R3 are as described herein, as well as pharmaceutically acceptable salts and esters thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments for the treatment of Alzheimer's disease.

  本发明提供了式(I)的化合物 其中Z、R1、R2和R3如本文所述，以及药用可接受的盐和酯。此外，本发明还涉及式(I)化合物的制备、包含它们的药物组合物以及它们用于治疗阿尔茨海默病作为药物的使用。
• [EN] INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS<br/>[FR] COMPOSÉS INDOLAMIDE À UTILISER EN TANT QU'INHIBITEURS DE BÈTA-AMYLOÏDE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014060386A1

  公开（公告）日：2014-04-24

  The present invention provides compounds of formula (I), wherein Z, R1, R2, and R3 are as described herein, as well as pharmaceutically acceptable salts and esters thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments for the treatment of Alzheimer's disease.

  本发明提供了如下式（I）的化合物，其中Z、R1、R2和R3如本文所述，以及其药用盐和酯。此外，本发明涉及制备如式（I）的化合物，包括它们的药物组合物以及它们作为治疗阿尔茨海默病的药物的用途。
• INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS
  申请人：Hoffmann-La Roche Inc.

  公开号：US20150274661A1

  公开（公告）日：2015-10-01

  The present invention provides compounds of formula (I), wherein Z, R 1 , R 2 , and R 3 are as described herein, as well as pharmaceutically acceptable salts and esters thereof. Further the present invention is concerned with the manufacture of the compounds of formula (I), pharmaceutical compositions comprising them and their use as medicaments for the treatment of Alzheimer's disease.

  本发明提供了式(I)的化合物，其中Z、R1、R2和R3如本文所述，以及其药学上可接受的盐和酯。此外，本发明还涉及制备式(I)的化合物、包含它们的制药组合物以及它们作为治疗阿尔茨海默病药物的用途。
• Murakami, Yasuoki; Tani, Masanobu; Tanaka, Kenjiro, Heterocycles, 1984, vol. 22, # 2, p. 241 - 244
  作者：Murakami, Yasuoki、Tani, Masanobu、Tanaka, Kenjiro、Yokoyama, Yuusaku

  DOI：——

  日期：——
• MURAKAMI, YASUOKI;TANI, MASANOBU;TANAKA, KENJIRO;YOKOYAMA, YUUSAKU, HETEROCYCLES, 1984, 22, N 2, 241-244
  作者：MURAKAMI, YASUOKI、TANI, MASANOBU、TANAKA, KENJIRO、YOKOYAMA, YUUSAKU

  DOI：——

  日期：——