cis 4-butylcyclohexanecarboxylic acid | 67589-83-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cis 4-butylcyclohexanecarboxylic acid
• 英文别名: (1r,4s)-4-butylcyclohexanecarboxylic acid；cis-4-n-butylcyclohexanecarboxylic acid
• CAS: 67589-83-7
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: BALGERHMIXFENA-AOOOYVTPSA-N

物化性质

• 沸点：
  287.7±8.0 °C(Predicted)
• 密度：
  0.973±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  cis 4-butylcyclohexanecarboxylic acid 在 氯化亚砜 作用下， 生成 4-butylcyclohexanecarbonyl chloride
  参考文献：
  名称：

  Margerum; Wong; Lackner, Molecular Crystals and Liquid Crystals (1969-1991), 1980, vol. 68, # 1-4, p. 157 - 174

  摘要：

  DOI：
• 作为产物：
  描述：

  4-丁基苯甲酸 在 氧化铂 作用下， 以 溶剂黄146 为溶剂， 反应 18.0h， 以to leave a solid residue of predominantly cis-4- n-butylcyclohexanecarboxylic acid (9, 50.89)的产率得到cis 4-butylcyclohexanecarboxylic acid
  参考文献：
  名称：

  Long-acting androgenic compounds and pharmaceutical compositions thereof

  摘要：

  长效雄性激素组合物包括C.sub.4-C.sub.6环烷基羧酸睾酮酯和药用可接受载体介质。该酯可以溶解在可接受的油性介质中，或以微粉化粒子或研磨粒子的形式悬浮在水性介质中。

  公开号：

  US04948790A1
• 作为试剂：
  描述：

  4-己基苯甲酸 以 cis 4-butylcyclohexanecarboxylic acid 为溶剂， 以80%的产率得到顺式4-正己基环己烷羧酸
  参考文献：
  名称：

  Long-acting androgenic compounds and pharmaceutical compositions thereof

  摘要：

  长效雄激素组合物包括C.sub.4-C.sub.6环烷基羧酸睾酮和一种药用可接受载体介质。酯类化合物可以溶解在一种可接受的油性介质中，或者以微粉化颗粒的形式悬浮在水性介质中，或以研磨颗粒的形式存在。

  公开号：

  US04948790A1

文献信息

• Anticonvulsant compound
  申请人：Royal Holloway and Bedford New College

  公开号：US10301263B2

  公开（公告）日：2019-05-28

  The invention relates to pharmaceutical uses of compounds of formula (II). Particular aspects of the invention relate to the use of those compounds in treating, preventing or ameliorating a seizure-related disorder, bipolar disorder, mania, migraine, Alzheimer's disease, Parkinson's disease or stroke.

  本发明涉及式（II）化合物的药物用途。 本发明的特定方面涉及这些化合物在治疗、预防或改善癫痫发作相关疾病、双相情感障碍、躁狂症、偏头痛、阿尔茨海默病、帕金森病或中风方面的用途。
• Discovery of 2-((3-Acrylamido-4-methylphenyl)amino)-<i>N</i>-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-BMX-078) as a Highly Potent and Selective Type II Irreversible Bone Marrow Kinase in the X Chromosome (BMX) Kinase Inhibitor
  作者：Xiaofei Liang、Fengchao Lv、Beilei Wang、Kailin Yu、Hong Wu、Ziping Qi、Zongru Jiang、Cheng Chen、Aoli Wang、Weili Miao、Wenchao Wang、Zhenquan Hu、Juan Liu、Xiaochuan Liu、Zheng Zhao、Li Wang、Shanchuan Zhang、Zi Ye、Chu Wang、Tao Ren、Yinsheng Wang、Qingsong Liu、Jing Liu

  DOI：10.1021/acs.jmedchem.6b01413

  日期：2017.3.9

  BMX is a member of TEC family nonreceptor tyrosine kinase and is involved in a variety of critical physiological and pathological processes. Through combination of irreversible inhibitor design and type II inhibitor design approaches, we have discovered a highly selective and potent type II irreversible BMX kinase inhibitor compound 41 (CHMFL-BMX-078), which exhibited an IC50 of 11 nM by formation of a covalent bond with cysteine 496 residue in the DFG-out inactive conformation of BMX. It displayed a high selectivity profile (S score(1) = 0.01) against the 468 kinases/mutants in the KINOMEscan evaluation and achieved at least 40-fold selectivity over BTK kinase. Given the fact that BMX mediated signaling pathway is still not fully understood, compound 41 would serve as a useful pharmacological tool to elucidate the detailed mechanism of BMX mediated signaling pathways.
• Kovshev; Karamysheva; Torgova, Journal of applied chemistry of the USSR, 1984, vol. 57, # 5 pt 2, p. 1069 - 1070
  作者：Kovshev、Karamysheva、Torgova、Geivandova、Roitman

  DOI：——

  日期：——
• AN ANTICONVULSANT COMPOUND
  申请人：Royal Holloway And Bedford New College

  公开号：EP3191088B1

  公开（公告）日：2020-12-16
• An Anticonvulsant Compound
  申请人：Royal Holloway and Bedford New College

  公开号：US20170305859A1

  公开（公告）日：2017-10-26

  The invention relates to pharmaceutical uses of compounds of formula (II). Particular aspects of the invention relate to the use of those compounds in treating, preventing or ameliorating a seizure-related disorder, bipolar disorder, mania, migraine, Alzheimer's disease, Parkinson's disease or stroke.