(S)-2-(tert-butoxy)-2-(4-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid | 1436855-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (S)-2-(tert-butoxy)-2-(4-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid
• 英文别名: (2S)-2-tert-butoxy-2-[4-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-2,3,6-trimethyl-pyrrolo[2,3-b]pyridin-5-yl]acetic acid；(2S)-2-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• CAS: 1436855-35-4
• 化学式: C₂₆H₃₄ClN₃O₃
• 分子量: 472.027
• InChiKey: XRNVMYZRVSAHFM-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20140249162A1

  公开（公告）日：2014-09-04

  The present invention relates to a pyrrolopyridine derivative represented by the Chemical Formula I, and a racemate or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and relates to an antiviral composition including the same as an active ingredient. The compound of the Chemical Formula I has excellent antiviral activity and selectivity for wild type and resistant HIV-1, and thereby is useful as a therapeutic agent for acquired immune deficiency syndrome (AIDS).

  本发明涉及一种由化学式I表示的吡咯吡啶衍生物，以及其外消旋体或立体异构体，或其药学上可接受的盐，并涉及包含其作为活性成分的抗病毒组合物。化学式I的化合物具有优异的抗病毒活性和对野生型和耐药HIV-1的选择性，因此可用作获得性免疫缺陷综合症（AIDS）的治疗剂。
• NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME
  申请人：ST Pharm Co., Ltd.

  公开号：EP2781519B1

  公开（公告）日：2019-10-30
• US9499537B2
  申请人：——

  公开号：US9499537B2

  公开（公告）日：2016-11-22
• [EN] NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME<br/>[FR] DÉRIVÉ ANTIVIRAL INÉDIT DE PYRROLOPYRIDINE ET SON PROCÉDÉ DE PRODUCTION
  申请人：KOREA RES INST CHEM TECH

  公开号：WO2013073875A1

  公开（公告）日：2013-05-23

  본 발명은 하기 화학식 I로 표시되는 피롤로피리딘 유도체 및 이의 라세미체, 입체이성질체 또는 이의 약제학적으로 허용되는 염 및 이를 활성성분으로 함유하는 항바이러스제 조성물에 관한 것으로, 하기 화학식 I의 화합물은 야생형 및 내성 HIV-1에 대한 생리활성도 및 선택도가 우수하여 후천성면역결핍증(AIDS) 치료제로 유용하다.