5-isobutyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester | 107411-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-isobutyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: 5-Isobutyl-2,4-dimethyl-pyrrol-3-carbonsaeure-aethylester；ethyl 2,4-dimethyl-5-(2-methylpropyl)-1H-pyrrole-3-carboxylate
• CAS: 107411-80-3
• 化学式: C₁₃H₂₁NO₂
• 分子量: 223.315
• InChiKey: MJZWCPYIXHAWOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.01
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  42.09
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (3-ethoxycarbonyl-5-isobutyl-4-methyl-pyrrol-2-yl)-acetic acid 生成 5-isobutyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Yamamoto; Kimura, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1956, vol. 76, p. 482,484

  摘要：

  DOI：

文献信息

• Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US11180474B2

  公开（公告）日：2021-11-23

  Disclosed are compounds of Formula (I) or a salt thereof, wherein R1, R3, R4, R5, m, and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of signaling through Toll-like receptor 7, or 8, or 9, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating inflammatory and autoimmune diseases.

  公开了式 (I) 的化合物或其盐，其中 R1、R3、R4、R5、m 和 n 在本文中定义。还公开了使用此类化合物作为通过 Toll 样受体 7 或 8 或 9 信号转导的抑制剂的方法，以及包含此类化合物的药物组合物。这些化合物可用于治疗炎症和自身免疫性疾病。
• DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20210292300A1

  公开（公告）日：2021-09-23

  Disclosed are compounds of Formula (I) or a salt thereof, wherein R 1 ; R 3 , R 4 , R 5 , m, and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of signaling through Toll-like receptor 7, or 8, or 9, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating inflammatory and autoimmune diseases.