2-氰基哌嗪-1-羧酸叔丁酯 | 1053656-76-0

• 物质功能分类: 有机原料 - 杂环化合物
• 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: 2-氰基哌嗪-1-羧酸叔丁酯
• 英文名称: tert-Butyl 2-cyanopiperazine-1-carboxylate
• CAS: 1053656-76-0
• 化学式: C₁₀H₁₇N₃O₂
• 分子量: 211.26
• InChiKey: YCIUFWZZINYMBA-UHFFFAOYSA-N

物化性质

• 熔点：
  126-129°C
• 沸点：
  343.1±37.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

文献信息

• Mutant IDH1 inhibitors useful for treating cancer
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE

  公开号：US10703746B2

  公开（公告）日：2020-07-07

  Compounds of Formula I and Formula II and the pharmaceutically acceptable salts thereof are disclosed The variables A, B, Y, Z, X1, X2, R1-4 and R13-18 are disclosed herein. The compounds are useful for treating cancer disorders, especially those involving mutant IDH1 enzymes. Pharmaceutical compositions containing compounds of Formula I or Formula II and methods of treatment comprising administering compounds of Formula I and Formula II are also disclosed.

  公开了式 I 和式 II 的化合物及其药学上可接受的盐 本文公开了变量 A、B、Y、Z、X1、X2、R1-4 和 R13-18。这些化合物可用于治疗癌症疾病，特别是涉及突变 IDH1 酶的疾病。还公开了含有式 I 或式 II 化合物的药物组合物以及包括施用式 I 和式 II 化合物的治疗方法。
• COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS
  申请人：Agency For Science, Technology and Research

  公开号：US20190071416A1

  公开（公告）日：2019-03-07

  Compounds For Inhibition Of Cancer and Epigenesis. The present invention relates to quinolines and 5,6,7,8-tetrahydroacridines of the formula (I) wherein Z 1 , Z 2 , X, R 1 to R 8 and Y are defined as described in the specification, or a pharmaceutically acceptable form or prodrug thereof, that are inhibitors of methyl transferases such as protein lysine methyltransferases and more particularly SMYD3. The present invention also relates to the methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of disorders/conditions/diseases involving, relating to or associated with enzymes having methyl transferase activities/functions and/or via unspecified/multi-targeted mechanisms.
• KRAS G12C INHIBITORS
  申请人：Mirati Therapeutics, Inc.

  公开号：US20200331911A1

  公开（公告）日：2020-10-22

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.