7-carboxy-N-methylindoline | 289725-22-0

• 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: 7-carboxy-N-methylindoline
• 英文别名: 1-Methylindoline-7-carboxylic acid；1-methyl-2,3-dihydroindole-7-carboxylic acid
• CAS: 289725-22-0
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: PJFAEBNNBMCYHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-carboxy-N-methylindoline 、 1-(1-Naphthoyl)-3-(R)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(S)-(cyclopropyl)pyrrolidine 生成 N-Methyl-7-indolinylcarbonyl-3-(R)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(S)-(cyclopropyl)pyrrolidine
  参考文献：
  名称：

  3-cyclopropyl and 3-cyclobutyl pyrrolidine modulators of chemokine receptor activity

  摘要：

  本发明涉及式I的吡咯烷化合物：（其中R1，R2，R3，R4c，R4d和R4f在此定义），其作为趋化因子受体活性的调节剂是有用的。特别地，这些化合物是趋化因子受体CCR-3和/或CCR-5的调节剂。

  公开号：

  US06362201B1
• 作为产物：
  描述：

  7-carboethoxy-N-methylindoline 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 生成 7-carboxy-N-methylindoline
  参考文献：
  名称：

  3-cyclopropyl and 3-cyclobutyl pyrrolidine modulators of chemokine receptor activity

  摘要：

  本发明涉及式I的吡咯烷化合物：（其中R1、R2、R3、R4c、R4d和R4f在此处定义），这些化合物可用作趋化因子受体活性的调节剂。具体而言，这些化合物可用作趋化因子受体CCR-3和/或CCR-5的调节剂。

  公开号：

  US06362201B1

文献信息

• Applying deep learning to iterative screening of medium-sized molecules for protein–protein interaction-targeted drug discovery
  作者：Yugo Shimizu、Tomoki Yonezawa、Yu Bao、Junichi Sakamoto、Mariko Yokogawa、Toshio Furuya、Masanori Osawa、Kazuyoshi Ikeda

  DOI：10.1039/d3cc01283b

  日期：——

  Updating predicting models could greatly improve the hit rate of virtual screening for identifying Keap1/Nrf2 protein–protein interaction inhibitors.

  更新预测模型可以大大提高虚拟筛选的命中率，从而确定 Keap1/Nrf2 蛋白-蛋白相互作用抑制剂。
• POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20160229940A1

  公开（公告）日：2016-08-11

  A polymer comprising recurring units having an acid generator bound to the backbone, and recurring units having an optionally acid labile group-substituted carboxyl group and/or recurring units having an optionally acid labile group-substituted hydroxyl group is obtained by polymerizing corresponding monomers in a solution of a non-polymerizable compound containing a nitrogen atom to which an acid labile group is bound. This prevents deprotection reaction of the acid labile group in the case of positive resist-forming polymer or crosslinking reaction in the case of negative resist-forming polymer.
• METHOD FOR PRODUCING POLYMER
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：US20170097567A1

  公开（公告）日：2017-04-06

  A polymer comprising recurring units having an acid generator bound to the backbone, and recurring units having an optionally acid labile group-substituted carboxyl group and/or recurring units having an optionally acid labile group-substituted hydroxyl group is obtained by polymerizing corresponding monomers in a solution of a non-polymerizable compound containing a nitrogen atom to which an acid labile group is bound. This prevents deprotection reaction of the acid labile group in the case of positive resist-forming polymer or crosslinking reaction in the case of negative resist-forming polymer.
• US6362201B1
  申请人：——

  公开号：US6362201B1

  公开（公告）日：2002-03-26
• [EN] 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS DE L'ACTIVITE RECEPTEUR DES CHIMIOKINES, A BASE DE 3-CYCLOPROPYLE ET 3-CYCLOBUTYLE
  申请人：MERCK & CO INC

  公开号：WO2000051607A1

  公开（公告）日：2000-09-08

  The present invention is directed to pyrrolidine compounds of the formula (I) (wherein R?1, R2, R3, R4c, R4d, and R4f¿ are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-3 and/or CCR-5.