2-[2-(Pyrrolidine-1-sulfonyl)-ethyl]-isoindole-1,3-dione | 42025-64-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[2-(Pyrrolidine-1-sulfonyl)-ethyl]-isoindole-1,3-dione
• 英文别名: 2-[2-(1-Pyrrolidinylsulfonyl)ethyl]-1H-isoindole-1,3(2h)-dione；2-(2-pyrrolidin-1-ylsulfonylethyl)isoindole-1,3-dione
• CAS: 42025-64-9
• 化学式: C₁₄H₁₆N₂O₄S
• 分子量: 308.358
• InChiKey: CYSRYRWCDORXKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2-(Pyrrolidine-1-sulfonyl)-ethyl]-isoindole-1,3-dione 在 sodium hydroxide 、 一水合肼 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 生成 (2S,4S)-4-Mercapto-2-[2-(pyrrolidine-1-sulfonyl)-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid 4-nitro-benzyl ester
  参考文献：
  名称：

  Synthesis and biological properties of new 1β-methylcarbapenems

  摘要：

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00270-4
• 作为产物：
  描述：

  1,3-二氢-1,3-二氧代-2H-异吲哚-2-乙烷磺酸 在 五氯化磷 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 2-[2-(Pyrrolidine-1-sulfonyl)-ethyl]-isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and biological properties of new 1β-methylcarbapenems

  摘要：

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00270-4

文献信息

• [EN] BICYCLIC JAK INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE JAK BICYCLIQUES ET LEURS UTILISATIONS
  申请人：INSILICO MEDICINE IP LTD

  公开号：WO2020198583A1

  公开（公告）日：2020-10-01

  Provided herein are compounds of Formulas (I), (II), (III), and (IV) and subformulas thereof, wherein the variables are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I), (II), (III), or (IV) and methods of using the compounds, e.g., in the treatment of immune disorders, inflammatory disorders, and cancer.

  本文提供了公式（I）、（II）、（III）和（IV）及其子公式的化合物，其中变量在此处定义。本文还提供了包括公式（I）、（II）、（III）或（IV）化合物的药物组合物，以及使用这些化合物的方法，例如用于治疗免疫紊乱、炎症性疾病和癌症。
• BYCYCLIC JAK INHIBITORS AND USES THEREOF
  申请人：Insilico Medicine IP Limited

  公开号：US20220119419A1

  公开（公告）日：2022-04-21

  Provided herein are compounds of Formulas (I), (II), (III), and (IV) and subformulas thereof, wherein the variables are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I), (II), (III), or (IV) and methods of using the compounds, e.g., in the treatment of immune disorders, inflammatory disorders, and cancer.
• Synthesis and biological properties of new 1β-methylcarbapenems
  作者：Kye Jung Shin、Kyung Ho Yoo、Dong Jin Kim、Sang Woo Park、Bong Suck Ko、Sang Joo Lee、Jae Doo Huh、Seung Yong Park

  DOI：10.1016/s0960-894x(98)00270-4

  日期：1998.7

  The synthesis and biological activity of the novel series of 1 beta-methylcarbapenems, 1 and 2 were described. Most compounds displayed high potent antibacterial activity. The best compound in this series, 2a (IH201; R-2=NH2) showed an excellent and a broad spectrum as well as high renal DHP-I stability. It also possessed good in vivo efficacy and high safety. (C) 1998 Elsevier Science Ltd. All rights reserved.