2-Carbethoxy-4-(4-nitrophenyl)pyrrole | 127572-62-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-Carbethoxy-4-(4-nitrophenyl)pyrrole
• 英文别名: ethyl 4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate
• CAS: 127572-62-7
• 化学式: C₁₃H₁₂N₂O₄
• 分子量: 260.249
• InChiKey: XPWSSLIMELBNJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Carbethoxy-4-(4-nitrophenyl)pyrrole 在 1% Pd/C 氢气 作用下， 生成
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3
• 作为产物：
  描述：

  N,N,N',N'-tetramethyl-2-p-nitro-malondialdehyde diimine hydrochloride 、 2-胺基乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 2-Carbethoxy-4-(4-nitrophenyl)pyrrole
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3

文献信息

• Application of 2-substituted vinamidinium salts to the synthesis of 2,4-disubstituted pyrroles
  作者：John T. Gupton、Dale A. Krolikowski、Richard H. Yu、Steve W. Riesinger、James A. Sikorski

  DOI：10.1021/jo00302a047

  日期：1990.7
• GUPTON, JOHN T.;KROLIKOWSKI, DALE A.;YU, RICHARD H.;RIESINGER, STEVE W.;S+, J. ORG. CHEM., 55,(1990) N5, C. 4735-4740
  作者：GUPTON, JOHN T.、KROLIKOWSKI, DALE A.、YU, RICHARD H.、RIESINGER, STEVE W.、S+

  DOI：——

  日期：——
• Novel cc-1065 Analogs and Their Conjugates
  申请人：Beusker Patrick Henry

  公开号：US20110207767A1

  公开（公告）日：2011-08-25

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• US9815784B2
  申请人：——

  公开号：US9815784B2

  公开（公告）日：2017-11-14
• [EN] NOVEL CC-1065 ANALOGS AND THEIR CONJUGATES<br/>[FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS
  申请人：SYNTARGA BV

  公开号：WO2010062171A2

  公开（公告）日：2010-06-03

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.