2-chloro-3-methylisoquinoline | 854372-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-chloro-3-methylisoquinoline
• 英文别名: 3-Chloro-4-methylisoquinoline；3-chloro-4-methylisoquinoline
• CAS: 854372-31-9
• 化学式: C₁₀H₈ClN
• 分子量: 177.633
• InChiKey: WXDJNUIWNJLXEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-chloro-3-methylisoquinoline 、 tert-butyl N-[(4'-ethynyl-1,1'-biphenyl-4-yl)sulfonyl]-D-valinate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 二乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 0.17h， 以76%的产率得到tert-butyl N-({4'-[(4-methylisoquinolin-3-yl)ethynyl]-1,1'-biphenyl-4-yl}sulfonyl)-D-valinate
  参考文献：
  名称：

  Biaryl sulfonamides and methods for using same

  摘要：

  本发明涉及联苯磺酰胺及其用途，例如作为金属蛋白酶抑制剂。

  公开号：

  US20050130973A1

文献信息

• Compounds for inhibition of α4β7 integrin
  申请人：Gilead Sciences, Inc.

  公开号：US11179383B2

  公开（公告）日：2021-11-23

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula (I), processes for preparing compounds of Formula (I), and therapeutic methods for treating inflammatory disease.

  本公开提供了一种式 (I) 的化合物： 或其药学上可接受的盐。本公开还提供了包含式（I）化合物的药物组合物、制备式（I）化合物的工艺以及治疗炎症性疾病的治疗方法。
• COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN
  申请人：GILEAD SCIENCES, INC.

  公开号：EP3873605A1

  公开（公告）日：2021-09-08
• Compounds for Inhibition of Alpha 4 Beta 7 Integrin
  申请人：Gilead Sciences, Inc.

  公开号：US20200163953A1

  公开（公告）日：2020-05-28

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula (I), processes for preparing compounds of Formula (I), and therapeutic methods for treating inflammatory disease.
• COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN
  申请人：Gilead Sciences, Inc.

  公开号：US20220152014A1

  公开（公告）日：2022-05-19

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula (I), processes for preparing compounds of Formula (I), and therapeutic methods for treating inflammatory disease.
• Biaryl sulfonamides and methods for using same
  申请人：Xiang Shaoyun Jason

  公开号：US20050130973A1

  公开（公告）日：2005-06-16

  The present invention relates to biaryl sulfonamides and their use as, for example, metalloproteinase inhibitors.

  本发明涉及联苯磺酰胺及其用途，例如作为金属蛋白酶抑制剂。