trans-1-chlorocarbonyl-4-(methoxycarbonyl)-cyclohexane | 32529-80-9

• 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: trans-1-chlorocarbonyl-4-(methoxycarbonyl)-cyclohexane
• 英文别名: trans-4-chlorocarbonyl-cyclohexanecarboxylic acid methyl ester；(1R,4r)-methyl 4-(chlorocarbonyl)cyclohexanecarboxylate；methyl (1r,4r)-4-chlorocarbonylcyclohexanecarboxylate；methyl trans-4-(chlorocarbonyl)cyclohexanecarboxylate；trans-methyl-4-(chlorocarbonyl)cyclohexanecarboxylate；methyl trans-4-chlorocarbonylcyclohexanecarboxylate
• CAS: 32529-80-9；36218-60-7
• 化学式: C₉H₁₃ClO₃
• 分子量: 204.653
• InChiKey: ZPSRMOPMUQFVJD-LJGSYFOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  trans-1-chlorocarbonyl-4-(methoxycarbonyl)-cyclohexane 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium tetrahydroborate 、 copper(l) iodide 、 cerium(III) chloride heptahydrate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  B(MIDA)-炔丙醇的肼/裂解反应合成丙二烯基-B(MIDA)

  摘要：

  Allenylboronates 代表了一类非常有趣的有机硼，但合成具有挑战性。此外，这些化合物通常不稳定，使分离变得困难。我们在此报告了一种通过B(MIDA)-炔丙醇的肼化/碎片化获得一类新的稳定、易于分离的丙二烯基 B(MIDA) 的实用且简洁的途径。还实现了光学活性丙二烯基B(MIDA)的合成。观察到所得产物的有趣反应性。

  DOI：

  10.1016/j.cclet.2022.04.077
• 作为产物：
  描述：

  trans-1,4-Cyclohexanedicarboxylic acid 在 盐酸 、 sodium hydroxide 、 氯化亚砜 作用下， 生成 trans-1-chlorocarbonyl-4-(methoxycarbonyl)-cyclohexane
  参考文献：
  名称：

  Magnetic field dependent reaction yields from radical ion pairs linked by a partially rigid aliphatic chain

  摘要：

  The electron donor-acceptor compound pyrene-(CH2) 3-cyclohexane-(CH2) 3-dimethylaniline, abbreviated as Py3(C6)3DMA, has been investigated. Photoinduced electron transfer leads to the singlet radical ion pair Py-3(C6)3DMA+. An extraordinary large and distinct magnetic field effect is observed in the yield of the locally excited triplet state of the pyrene moiety, the recombination product of the triplet radical ion pair. The half-width of the ''J-resonance'' maximum in the magnetic field dependent triplet yield curve is just 66 G, corresponding to 7.7 X 10(-7) eV or 6.2 X 10(-3) cm-1. This is due to the influence of the rigid trans-cyclohexane part in the aliphatic chain, which leads to a reduced intramolecular mobility and to a narrow probability distribution of the radical ion pair distance, as predicted by Monte-Carlo computer simulations. The magnetic field dependence of the triplet generation is further transmitted to secondary reactions like triplet-triplet annihilation, thus leading to a magnetic field dependent delayed fluorescence and to a delayed excimer fluorescence.

  DOI：

  10.1021/j100139a005

文献信息

• [EN] BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS<br/>[FR] BIPYRIDYLAMINOPYRIDINES EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2012154518A1

  公开（公告）日：2012-11-15

  The present invention provides novel pyrimidine amines of formula I which are potent inhibitors of spleen tyrosine kinase, or are prodrugs thereof, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis and cancer.

  本发明提供了式I的新颖嘧啶胺，它们是脾酪氨酸激酶的强效抑制剂，或者是其前药，并且可用于治疗和预防由所述酶介导的疾病，如哮喘、慢性阻塞性肺病（COPD）、类风湿性关节炎和癌症。
• HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES
  申请人：Dolente Cosimo

  公开号：US20110275801A1

  公开（公告）日：2011-11-10

  The present invention provides heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes of formula I wherein R 1 , R 2 and R 3 are as described herein. The compounds according to the invention act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明提供了式I的杂芳基-环己基-四氮杂苯并[e]氮杂蒽衍生物， 其中R1、R2和R3如本文所述。 根据发明的化合物作为V1a受体的调节剂，尤其是作为V1a受体拮抗剂，它们的制造，含有它们的药物组合物以及它们作为药物的使用。本发明的活性化合物作为治疗剂，在痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、不适当分泌血管升压素、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、孤独症谱系障碍、精神分裂症和侵略性行为的条件中，在周围和中心发挥作用。
• [EN] CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS<br/>[FR] CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZABENZO[E]AZULÈNES UTILISÉS COMME ANTAGONISTES DES V1A
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013050334A1

  公开（公告）日：2013-04-11

  The present invention provides 4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes, which act as V1a receptor modulators, and in particular as V1a receptor antagonists, their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are useful as therapeutics acting peripherally and centrally in the conditions of dysmenorrhea, male or female sexual dysfunction, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, anxiety, depressive disorders, obsessive compulsive disorder, autistic spectrum disorders, schizophrenia, and aggressive behavior.

  本发明提供了4H,6H-5-氧杂-2,3,10b-三唑-苯并[e]吖啶衍生物，它们作为V1a受体调节剂，特别是作为V1a受体拮抗剂，它们的制造方法，含有它们的药物组合物以及它们作为药物的使用。本发明的活性化合物作为治疗剂在末梢和中央条件下对痛经、男性或女性性功能障碍、高血压、慢性心力衰竭、不适当的抗利尿激素分泌、肝硬化、肾病综合征、焦虑、抑郁障碍、强迫症、孤独症谱系障碍、精神分裂症和攻击性行为是有用的。
• [EN] AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS<br/>[FR] AZOLOPYRIMIDINE POUR LE TRAITEMENT DE TROUBLES LIÉS AU CANCER
  申请人：ARCUS BIOSCIENCES INC

  公开号：WO2018136700A1

  公开（公告）日：2018-07-26

  Compound that is an inhibitor of at least one of the A2A and A2B adenosine receptors, and compositions containing the compound and methods for synthesizing the compound, are described herein. The use of such compound and compositions for the treatment of a diverse array of diseases, disorders, and conditions, including cancer- and immune-related disorders that are mediated, at least in part, by the adenosine A2A receptor and/or the adenosine A2B receptor.

  本文描述了一种至少抑制A2A和A2B腺苷受体中至少一种的化合物，以及含有该化合物的组合物和合成该化合物的方法。利用这种化合物和组合物治疗各种疾病、紊乱和病况，包括至少部分由腺苷A2A受体和/或腺苷A2B受体介导的癌症和免疫相关紊乱。
• [EN] PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS<br/>[FR] PROMÉDICAMENT BIPYRIDYLAMINOPYRIDINES EN TANT QU'INHIBITEURS DE SYK
  申请人：MERCK SHARP & DOHME

  公开号：WO2014074421A1

  公开（公告）日：2014-05-15

  The present invention provides compounds of Formula (I), which are prodrugs of trans-4-[(1R)-(6-[4-(difluoromethyl)pyridin-2-yl]amino}-4-methyl-2,3'-bipyridin-6'-yl)-1-hydroxyethyl]cyclohexanecarboxylic acid, a potent inhibitor of Syk. The compounds are useful in the treatment and prevention of diseases mediated by the enzyme, such as asthma, COPD, rheumatoid arthritis and cancer.

  本发明提供了化合物的公式（I），这些化合物是trans-4-[(1R)-(6-[4-(二氟甲基)吡啶-2-基]氨基}-4-甲基-2,3'-联吡啶-6'-基)-1-羟乙基]环己烷羧酸的前药，是Syk的有效抑制剂。这些化合物在治疗和预防由该酶介导的疾病方面非常有用，如哮喘、慢性阻塞性肺病、类风湿性关节炎和癌症。