1-(吡啶-3-基)哌嗪盐酸盐 | 1010133-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(吡啶-3-基)哌嗪盐酸盐
• 英文名称: 1-pyridin-3-ylpiperazine dihydrochloride
• 英文别名: 1-(Pyridin-3-yl)piperazine hydrochloride；1-pyridin-3-ylpiperazine;hydrochloride
• CAS: 1010133-97-7
• 化学式: C₉H₁₃N₃*2ClH
• 分子量: 236.144
• InChiKey: CSLOFABHFDQSBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  28.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  N-(3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)methanesulfonamide 、 1-(吡啶-3-基)哌嗪盐酸盐 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以3%的产率得到N-[5-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]methanesulfonamide
  参考文献：
  名称：

  Discovery of a 5H-Benzo[4,5]cyclohepta[1,2-b]pyridin-5-one (MK-2461) Inhibitor of c-Met Kinase for the Treatment of Cancer

  摘要：

  c-Met is a transmembrane tyrosine kinase that mediates activation of several signaling pathways implicated in aggressive cancer phenotypes. In recent years, research into this area has highlighted c-Met as an attractive cancer drug target, triggering a number of approaches to disrupt aberrant c-Met signaling. Screening efforts identified a unique class of 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one kinase inhibitors, exemplified by 1. Subsequent SAR studies led to the development of 81 (MK-2461), a potent inhibitor of c-Met that was efficacious in preclinical animal models of tumor suppression. In addition, biochemical studies and X-ray analysis have revealed that this unique class of kinase inhibitors binds preferentially to the activated (phosphorylated) form of the kinase. This report details the development of 81 and provides a description of its unique biochemical properties.

  DOI：

  10.1021/jm200112k

文献信息

• SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS
  申请人：Geneste Herve

  公开号：US20090318406A1

  公开（公告）日：2009-12-24

  The present invention relates to novel oxindole derivatives of general formula (I), in which the substituents R 1 , R 2 , A, B and Y are as defined in claim 1, medicinal products containing them and use thereof for the prophylaxis and/or treatment of vasopressin-dependent and/or oxytocin-dependent diseases.

  本发明涉及一种新型的氧化吲哚衍生物，其通式为(I)，其中取代基R1、R2、A、B和Y的定义如权利要求书中所述，包括含有它们的药物制剂和用于预防和/或治疗利尿激素依赖和/或催产素依赖疾病的用途。
• WO2008/147314
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2021055744A5
  申请人：——

  公开号：WO2021055744A5

  公开（公告）日：2023-09-20
• SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS
  申请人：ABBOTT LABORATORIES

  公开号：EP0690713A1

  公开（公告）日：1996-01-10
• US5530119A
  申请人：——

  公开号：US5530119A

  公开（公告）日：1996-06-25