CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS- | 23775-41-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS-
• 英文别名: cis-4-isopropylcyclohexanamine；cis-4-isopropylcyclohexylamine；cis-4-Isopropyl-cyclohexylamin；cis-4-Isopropylclohexylamin
• CAS: 23775-41-9
• 化学式: C₉H₁₉N
• 分子量: 141.257
• InChiKey: MFRKYEJMLQUSJX-DTORHVGOSA-N

物化性质

• 沸点：
  185.6±8.0 °C(Predicted)
• 密度：
  0.850±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS- 在 乙酸酐 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  ORL1 receptor ligands: Structure–activity relationships of 8-cycloalkyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-ones

  摘要：

  We have investigated 5-cycloalkyl-1-phenyl-1,3,8-triaza-spirol4.5ldecan-4-ones as ligands for the ORL1 receptor. These unsophisticated, achiral compounds show remarkable affinity for the ORL1 receptor. Optimizing for selectivity we show that the maximum of affinity and selectivity versus the other opioid receptors is achieved for 8-cyclodecyl-1-phenyl-1,3,8-triaza-spiro-[4.5] decan-4-one 2e and 8-(cis-4-isopropyl-cyclohexyl)-1-phenyl- 1,3,8 -triaza-spiro[4.5]decan-4-one 2q. The identified compounds (2e, 2q) are more or less equipotent to the natural ligand itself, both in the binding assay and in the functional GTP gamma S assay. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00111-6
• 作为产物：
  描述：

  benzyl-(4-isopropylcyclohexyl)amine 在 palladium on activated charcoal 、 氨 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 CYCLOHEXANAMINE, 4-(1-METHYLETHYL)-, CIS-
  参考文献：
  名称：

  Discovery and Optimization of a Compound Series Active against Trypanosoma cruzi, the Causative Agent of Chagas Disease

  摘要：

  Chagas disease is caused by the protozoan parasite Trypanosoma cruzi. It is endemic in South and Central America and recently has been found in other parts of the world, due to migration of chronically infected patients. The current treatment for Chagas disease is not satisfactory, and there is a need for new treatments. In this work, we describe the optimization of a hit compound resulting from the phenotypic screen of a library of compounds against T. cruzi. The compound series was optimized to the level where it had satisfactory pharmacokinetics to allow an efficacy study in a mouse model of Chagas disease. We were able to demonstrate efficacy in this model, although further work is required to improve the potency and selectivity of this series.

  DOI：

  10.1021/acs.jmedchem.9b01852

文献信息

• SULTAM DERIVATIVES
  申请人：Anderson Kevin W.

  公开号：US20110124686A1

  公开（公告）日：2011-05-26

  The present invention relates to compounds according to formula 1, which exhibit cytotoxic activity. The compounds may be used in the treatment of cancer.

  本发明涉及符合式1的化合物，具有细胞毒活性。这些化合物可用于治疗癌症。
• Substituted Cyclohexylamine Compounds
  申请人：EPIZYME, INC.

  公开号：US20200123142A1

  公开（公告）日：2020-04-23

  The present disclosure provides substituted cyclohexylamine compounds having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2a , R 2b , R 3a , R 3b , R 4 , R 5 , and R 7 are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供具有化学式（I）的替代环己胺化合物及其药用可接受的盐和溶剂化合物，其中R1、R2a、R2b、R3a、R3b、R4、R5和R7如规范中所定义。本公开还涉及使用化合物I的方法来治疗对SMYD蛋白如SMYD3或SMYD2阻断产生反应的疾病。本公开的化合物特别适用于治疗癌症。
• The preparation of cis- and trans-1-alkyl-4-phthalimidocyclohexanes
  作者：H. Booth、G. C. Gidley、P. R. Thornburrow

  DOI：10.1039/j29710001047

  日期：——

  Mixtures of cis- and trans-4-alkylcyclohexylamines (alkyl = methyl, ethyl, isopropyl, s-butyl, cyclohexyl, and t-butyl) have been prepared by standard methods and have been converted into stereochemically pure cis- and trans-1-alkyl-4-phthalimidocyclohexanes.

  顺式和反式-4-烷基环己胺（烷基=甲基，乙基，异丙基，仲丁基，环己基和叔丁基）的混合物已通过标准方法制备，并已转化为立体化学纯的顺式和反式-1-烷基-4-邻苯二甲酰亚胺基环己烷。
• Aliphatic C–H Bond Oxidation with Hydrogen Peroxide Catalyzed by Manganese Complexes: Directing Selectivity through Torsional Effects
  作者：Michela Milan、Massimo Bietti、Miquel Costas

  DOI：10.1021/acs.orglett.8b00929

  日期：2018.5.4

  Substituted N-cyclohexyl amides undergo aliphatic C–H bond oxidation with H2O2 catalyzed by manganese complexes. The reactions are directed by torsional effects leading to site-selective oxidation of cis-1,4-, trans-1,3-, and cis-1,2-cyclohexanediamides. The corresponding diastereoisomers are unreactive under the same conditions. Competitive oxidation of cis–trans mixtures of 4-substituted N-cyclohexylamides

  取代的N-环己基酰胺经过锰配合物催化的H 2 O 2的脂族C–H键氧化。反应受扭转作用指导，导致顺式-1,4-，反式-1,3-和顺式-1,2-环己二酰胺的位点选择性氧化。相应的非对映异构体在相同条件下不反应。竞争性氧化4-取代N-环己基酰胺的顺-反混合物可导致顺式异构体的定量转化，从而可以分离和连续转化反式异构体转变成具有出色的位点选择性和良好的对映选择性的致密官能化的氧化产物。
• Aryl-Phenyl-Sulfonamido-Cycloalkyl Compounds and Their Use
  申请人：Greig Iain Robert

  公开号：US20110172189A1

  公开（公告）日：2011-07-14

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain aryl-phenyl-sulfonamido-cycloalkyl compounds of the following formula (collectively referred to herein as “APSAC compounds”). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, in treatment, for example, of inflammation and/or joint destruction and/or bone loss; of disorders mediated by excessive and/or inappropriate and/or prolonged activation of the immune system; of inflammatory and autoimmune disorders, for example, rheumatoid arthritis, psoriasis, psoriatic arthritis, chronic obstructive pulmonary disease (COPD), atherosclerosis, inflammatory bowel disease, ankylosing spondylitis, and the like; of disorders associated with bone loss, such as bone loss associated with excessive osteoclast activity in rheumatoid arthritis, osteoporosis, cancer-associated bone disease, Paget's disease and the like, etc.; and of cancer, such as a haematological malignancy, a solid tumour, etc. Formula (I).

  本发明涉及治疗化合物领域，更具体地涉及以下公式的某些芳基-苯基-磺酰胺基环烷化合物（统称为“APSAC化合物”）。本发明还涉及包含这种化合物的制药组合物以及在体内外使用这种化合物和组合物治疗炎症、关节破坏和/或骨质流失等问题，治疗由免疫系统过度和/或不适当和/或持久活化引起的疾病，如类风湿性关节炎、牛皮癣、银屑病性关节炎、慢性阻塞性肺疾病（COPD）、动脉粥样硬化、炎症性肠病、强直性脊柱炎等炎症和自身免疫性疾病，以及与骨质流失相关的疾病，如类风湿性关节炎、骨质疏松症、癌症相关骨病、帕吉特病等，以及癌症，如血液系统恶性肿瘤、实体瘤等。公式（I）。