3-Cyclopropylbenzoyl chloride | 1224600-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Cyclopropylbenzoyl chloride
• 英文别名: 3-cyclopropylbenzoyl chloride
• CAS: 1224600-17-2
• 化学式: C₁₀H₉ClO
• 分子量: 180.634
• InChiKey: GRBZCKFTNVPYGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(2-氯嘧啶-4-基)乙胺 、 3-Cyclopropylbenzoyl chloride 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-chloropyrimidin-4-yl)-3-cyclopropyl-N-ethylbenzamide
  参考文献：
  名称：

  Amide-based inhibitors of p38α MAP kinase. Part 2: Design, synthesis and SAR of potent N-pyrimidyl amides

  摘要：

  Optimization of a tri-substituted N-pyridyl amide led to the discovery of a new class of potent N-pyrimidyl amide based p38 alpha MAP kinase inhibitors. Initial SAR studies led to the identification of 5-dihydrofuran as an optimal hydrophobic group. Additional side chain modi. cations resulted in the introduction of hydrogen bond interactions. Through extensive SAR studies, analogs bearing free amino groups and alternatives to the parent (S)-alpha-methyl benzyl moiety were identified. These compounds exhibited improved cellular activities and maintained balance between p38a and CYP3A4 inhibition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.090

文献信息

• [EN] IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDO-THIAZOLE EN TANT QU'INHIBITEURS DE PROTÉINES KINASES
  申请人：ABBOTT LAB

  公开号：WO2009070516A1

  公开（公告）日：2009-06-04

  Compounds of formula I that inhibit protein kinases, compositions containing the compounds and methods of treating diseases using the compounds are disclosed. Formula I and therapeutically acceptable salts, prodrugs and salts of prodrugs thereof, wherein X is CH or N; A1 is R1, OR1. NHR1, N(R1)2, NHC(O)R1, NHC(O)NHR1, NHC(O)N(R1)2, NHC(O)OR1, C(O)NHR1, C(O)N(R1)2, C=NOR1, or C(NH2)NOC(O)R1;

  公开了抑制蛋白激酶的化合物I的公式，包含这些化合物的组合物以及使用这些化合物治疗疾病的方法。公式I及其治疗上可接受的盐，前药和前药的盐，其中X为CH或N；A1为R1，OR1，NHR1，N(R1)2，NHC(O)R1，NHC(O)NHR1，NHC(O)N(R1)2，NHC(O)OR1，C(O)NHR1，C(O)N(R1)2，C=NOR1或C(NH2)NOC(O)R1。
• PYRROLE COMPOUND
  申请人：Kabushiki Kaisha Yakult Honsha

  公开号：EP2808324A1

  公开（公告）日：2014-12-03

  Provided is a highly safe and effective compound represented by the following general formula (1) or a salt thereof which acts on tubulin and has an anticancer effect, wherein Ar represents an aryl group or a heteroaryl group; Z1, Z2, Z3, and Z4 each independently represent CH, a nitrogen atom, an oxygen atom, or a sulfur atom; R1 represents a hydrogen atom, a halogen atom, an alkyl group, or the like; R2 and R3 are the same or different and each represent a hydrogen atom, a halogen atom, a carboxyl group, or the like; n units of R4 are the same or different and each represent a hydrogen atom, an alkyl group, or the like; and n represents a number of 0 to 4.

  本发明提供了一种由以下通式（1）代表的高度安全有效的化合物或其盐，该化合物作用于微管蛋白并具有抗癌效果，其中 Ar 代表芳基或杂芳基；Z1、Z2、Z3 和 Z4 各自独立地代表 CH、氮原子、氧原子或硫原子；R1 代表氢原子、卤素原子、烷基或类似物；R2 和 R3 相同或不同，各自代表氢原子、卤素原子、羧基或类似物；R4 的 n 个单元相同或不同，各自代表氢原子、烷基或类似物；以及 n 代表 0 至 4 的数字。
• IMIDAZO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  申请人：Abbott Laboratories

  公开号：EP2222682A1

  公开（公告）日：2010-09-01
• US20140343017A1
  申请人：——

  公开号：US20140343017A1

  公开（公告）日：2014-11-20
• Amide-based inhibitors of p38α MAP kinase. Part 2: Design, synthesis and SAR of potent N-pyrimidyl amides
  作者：Richland Tester、Xuefei Tan、Gregory R. Luedtke、Imad Nashashibi、Kurt Schinzel、Weiling Liang、Joon Jung、Sundeep Dugar、Albert Liclican、Jocelyn Tabora、Daniel E. Levy、Steven Do

  DOI：10.1016/j.bmcl.2010.02.090

  日期：2010.4

  Optimization of a tri-substituted N-pyridyl amide led to the discovery of a new class of potent N-pyrimidyl amide based p38 alpha MAP kinase inhibitors. Initial SAR studies led to the identification of 5-dihydrofuran as an optimal hydrophobic group. Additional side chain modi. cations resulted in the introduction of hydrogen bond interactions. Through extensive SAR studies, analogs bearing free amino groups and alternatives to the parent (S)-alpha-methyl benzyl moiety were identified. These compounds exhibited improved cellular activities and maintained balance between p38a and CYP3A4 inhibition. (C) 2010 Elsevier Ltd. All rights reserved.