(1r,4s)-4-propylcyclohexanecarboxylic acid | 67589-82-6

• 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: (1r,4s)-4-propylcyclohexanecarboxylic acid
• 英文别名: cis-4-propylcyclohexanecarboxylic acid
• CAS: 67589-82-6
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: QCNUKEGGHOLBES-DTORHVGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.68
• 重原子数：
  12.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  (1r,4s)-4-propylcyclohexanecarboxylic acid 在 氯化亚砜 作用下， 生成 trans-4-n-propylcyclohexylcarbonyl 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-丙基苯甲酸 在 铑 氢气 作用下， 生成 (1r,4s)-4-propylcyclohexanecarboxylic acid
  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：
• 作为试剂：
  描述：

  cis-4-propylcyclohexanecarbonitrile 、 、 硫酸 、 水 在 乙酸乙酯 、 aqueous solution 、 sodium hydroxide 、 乙醚 、 水 、 氯化钠 、 magnesium sulfate 、 (1r,4s)-4-propylcyclohexanecarboxylic acid 、 crude product 作用下， 反应 3.08h， 以to give 1.91 g of cis-4-propylcyclohexanecarboxylic acid (Compound K) as crude product的产率得到(1r,4s)-4-propylcyclohexanecarboxylic acid
  参考文献：
  名称：

  New method of treatment using prostaglandin analogues

  摘要：

  本发明涉及一种使用公式为：##STR1##（其中R代表1至4个碳原子的烷基）的PGI.sub.1衍生物或其环糊精包合物或其非毒性盐的新方法，用于治疗脑细胞缺氧。

  公开号：

  US04812475A1

文献信息

• Prostaglandin analogues, process for their preparation and
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US04935446A1

  公开（公告）日：1990-06-19

  The present invention relates to novel isomers of PGAs, PGDs, PGEs, PGFs, 6-keto-PGE.sub.1 s, 6-keto-PGF.sub.1 s, PGI.sub.2 s, 6,9.alpha.-nitrilo-PGI.sub.1 s and 6,9.alpha.-methano-PGI.sub.2 s, having a specific steric configuration, which are replaced by an alkyl (C.sub.1 to C.sub.8)-substituted cycloalkyl (C.sub.4 to C.sub.7) group in 1S,S) form, in 1S,R) form or in cis form at the 15-, 16- or 17-position of the PG skeleton, and, alkyl esters thereof, non-toxic salts thereof, non-toxic acid addition salts thereof and cyclodextrin clathrates thereof, possessing more potent PG-like pharmacological activity than other isomers.

  本发明涉及一种新型的PGAs、PGDs、PGEs、PGFs、6-酮基-PGE1s、6-酮基-PGF1s、PGI2s、6,9α-亚硝基-PGI1s和6,9α-甲基-PGI2s的异构体，具有特定的立体构型，在PG骨架的15、16或17位点以1S,S)形式、1S,R)形式或顺式形式被烷基（C1至C8）取代的环烷基（C4至C7）群，以及其烷基酯、无毒盐、无毒酸加成盐和环糊精包合物，比其他异构体具有更强的PG样药理活性。
• Prostaglandin analogues, processes for their preparation and
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：US05221689A1

  公开（公告）日：1993-06-22

  The present invention relates to novel isomers of 6,9.alpha.-nitrilo-PGI.sub.1 s having a specific steric configuration, which are replaced by an alkyl (C.sub.1 to C.sub.8)-substituted cycloalkyl (C.sub.4 to C.sub.7) group in (1S,S) form, in (1S,R) form or in cis form at the 15-, 16- or 17-position of the PG skeleton, and, alkyl esters thereof, non-toxic salts thereof, non-toxic acid addition salts thereof and cyclodextrin clathrates thereof, possessing more potent PG-like pharmacological activity than other isomers.

  本发明涉及6,9.alpha.-nitrilo-PGI.sub.1的新异构体，具有特定的立体构型，该异构体在PG骨架的15-, 16-或17-位点以(1S,S)形式、(1S,R)形式或顺式形式被烷基（C.sub.1至C.sub.8）取代的环烷基（C.sub.4至C.sub.7）所替代，以及其烷基酯、无毒盐、无毒酸加盐和环糊精包合物，比其他异构体具有更强的PG样药理活性。
• Mono- or bicyclic carboxylic acids as off-note blockers
  申请人：Givaudan, S.A.

  公开号：US10172378B2

  公开（公告）日：2019-01-08

  Disclosed are compounds that block off-notes in consumables and methods of blocking off-notes in consumables including off-notes provided by sweeteners such as stevioside, swingle extract, glyccerhizin, perillartine, naringin dihydrochalcone, neohesperidine dihydrochalcone, mogroside V, rubusoside, rubus extract, and rebaudioside A, and artificial sweeteners such as aspartame, saccharin, acesulfame K (Acesulfame potassium), sucralose and cyclamate.

  所公开的是在消费品中阻断异味的化合物和在消费品中阻断异味的方法，包括甜味剂提供的异味，如甜菊糖苷、摇钱树提取物、甘草甜素、perillartine、柚皮苷二氢查尔酮、新橙皮苷二氢查尔酮、木犀草苷 V、木犀草苷、木犀草提取物和木犀草苷 A 等甜味剂，以及阿斯巴甜、糖精、安赛蜜 K（安赛蜜钾）、三氯蔗糖和甜蜜素等人造甜味剂。
• 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.
• Prostaglandin analogues for the treatment of brain cells anoxia
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0169725B1

  公开（公告）日：1990-03-21