ethyl 2-cyano-2-(3-aminopyrid-2-yl)acetate | 87592-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 2-cyano-2-(3-aminopyrid-2-yl)acetate
• 英文别名: (3-Amino-2-pyridyl)-cyanessigsaeureethylester；(3-amino-pyridin-2-yl)-cyano-acetic acid ethyl ester；cyano-(3-aminopyridin-2-yl)-acetic Acid Ethyl Ester；3-Amino-α-cyano-2-pyridineacetic acid, ethyl ester；ethyl 2-(3-aminopyridin-2-yl)-2-cyanoacetate
• CAS: 87592-12-9
• 化学式: C₁₀H₁₁N₃O₂
• mdl: MFCD24393024
• 分子量: 205.216
• InChiKey: ICNQMDHVLPCDEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-cyano-2-(3-aminopyrid-2-yl)acetate 以 正丁醇 为溶剂， 生成 3-cyano-4-azaindol-2(3H)-one
  参考文献：
  名称：

  Daisley, Roy W.; Hanbali, Jafar R., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 999 - 1001

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 2-cyano-2-(3-nitropyridin-2-yl)acetate 在 钯 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以to give the title compound (5.00 g, 99%) as a solid的产率得到ethyl 2-cyano-2-(3-aminopyrid-2-yl)acetate
  参考文献：
  名称：

  Pyrrolopyridine potassium channel openers

  摘要：

  式(I)的新型吡咯吡啶化合物及其衍生物能够打开钾通道，对于治疗受钾通道调节的多种疾病有用。

  公开号：

  US20040122218A1

文献信息

• Pyrrolopyridine potassium channel openers
  申请人：——

  公开号：US20040122218A1

  公开（公告）日：2004-06-24

  Novel pyrrolopyridine compounds of formula (I), 1 and their derivatives open potassium channels and are useful for treating a variety of diseases modulated by potassium channels.

  式(I)的新型吡咯吡啶化合物及其衍生物能够打开钾通道，对于治疗受钾通道调节的多种疾病有用。
• DAISLEY, R. W.;HANBALI, J. R., J. HETEROCYCL. CHEM., 1983, 20, N 4, 999-1001
  作者：DAISLEY, R. W.、HANBALI, J. R.

  DOI：——

  日期：——
• CINNAMOYL DISTAMYCIN ANALOGOUS DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS
  申请人：Pharmacia Italia S.p.A.

  公开号：EP1084120B1

  公开（公告）日：2004-03-10
• [EN] PYRROLOPYRIDINE POTASSIUM CHANNEL OPENERS<br/>[FR] REGULATEURS DU CANAL POTASSIQUE A BASE DE PYRROLOPYRIDINE
  申请人：ABBOTT LAB

  公开号：WO2004060893A1

  公开（公告）日：2004-07-22

  Novel pyrrolopyridine compounds of formula (I), and their derivatives open potassium channels and are useful for treating a variety of diseases modulated by potassium channels.
• The discovery of a new class of large-conductance Ca2+-activated K+ channel opener targeted for overactive bladder: synthesis and structure–activity relationships of 2-amino-4-azaindoles
  作者：Sean C. Turner、William A. Carroll、Tammie K. White、Murali Gopalakrishnan、Michael J. Coghlan、Char-Chang Shieh、Xu-Feng Zhang、Ashutosh S. Parihar、Steven A. Buckner、Ivan Milicic、James P. Sullivan

  DOI：10.1016/s0960-894x(03)00324-x

  日期：2003.6

  2-Amino-4-azaindoles have been identified as a structurally novel class of BKCa channel openers. Their synthesis from 2-chloro-3-nitropyridine is described together with their in vitro properties assessed by Rb-86(+) efflux and whole-cell patch-clamp assays using HEK293 cells stably transfected with the BKCa alpha subunit. In vitro functional characterization of BKCa channel opening activity was also assessed by measurement of relaxation of smooth muscle tissue strips obtained from Landrace pig bladders. The preliminary SAR data indicate the importance of steric bulk around the 2-amino substituent. (C) 2003 Elsevier Science Ltd. All rights reserved.