(4-Ethoxycyclohexyl)methanol | 1118605-50-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-Ethoxycyclohexyl)methanol
• 英文别名: (4-ethoxycyclohexyl)methanol
• CAS: 1118605-50-7
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: AMARRIYPDLAIEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-Ethoxycyclohexyl)methanol 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-ethoxycyclohexanecarbaldehyde
  参考文献：
  名称：

  ISOINDOLINE INHIBITORS OF ROR-GAMMA

  摘要：

  提供了化合物的新颖结构式（I）：其药用盐，以及其药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含新颖结构式（I）化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。

  公开号：

  US20160122318A1
• 作为产物：
  描述：

  4-乙氧基环己烷羧酸 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 以90%的产率得到(4-Ethoxycyclohexyl)methanol
  参考文献：
  名称：

  Discovery of a potent, selective and orally bioavailable 3,9-diazaspiro[5.5]undeca-2-one CCR5 antagonist

  摘要：

  Replacement of the cyclic carbamate in our previously disclosed 1-oxa-3,9-diazaspiro[5.5]undecan-2-one template led to the discovery of two novel series of 3,9-diazaspiro[5.5]undecane and undeca-2-one CCR5 antagonists. The synthesis, SAR, and antiviral activities of these two series are described. One compound (32) was found to have attractive combination of antiviral potency, selectivity, and pharmacokinetic profile. The asymmetric synthesis of 32 was also accomplished and both enantiomers were equally potent. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.115

文献信息

• Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists
  作者：Rémy C. Lemoine、Ann C. Petersen、Lina Setti、Lijing Chen、Jutta Wanner、Andreas Jekle、Gabrielle Heilek、André deRosier、Changhua Ji、David M. Rotstein

  DOI：10.1016/j.bmcl.2010.02.004

  日期：2010.3

  The bicyclic 5-amino-3-azabicyclo[3.3.0]octanes were shown to be effective replacements for the conformationally restricted 4-aminopiperidine ring found in several series of CCR5 antagonists. (C) 2010 Elsevier Ltd. All rights reserved.
• ISOINDOLINE INHIBITORS OF ROR-GAMMA
  申请人：VITAE PHARMACEUTICALS, INC.

  公开号：US20160122318A1

  公开（公告）日：2016-05-05

  Provided are novel compounds of Formula (I): pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof, which are useful in the treatment of diseases and disorders mediated by RORγ. Also provided are pharmaceutical compositions comprising the novel compounds of Formula (I) and methods for their use in treating one or more inflammatory, metabolic, autoimmune and other diseases or disorders.

  提供了化合物的新颖结构式（I）：其药用盐，以及其药物组合物，可用于治疗由RORγ介导的疾病和紊乱。还提供了包含新颖结构式（I）化合物的药物组合物，以及它们在治疗一种或多种炎症性、代谢性、自身免疫和其他疾病或紊乱中的使用方法。
• Discovery of a potent, selective and orally bioavailable 3,9-diazaspiro[5.5]undeca-2-one CCR5 antagonist
  作者：Hanbiao Yang、Xiao-Fa Lin、Fernando Padilla、Stephen D. Gabriel、Gabrielle Heilek、Changhua Ji、Surya Sankuratri、André deRosier、Pamela Berry、David M. Rotstein

  DOI：10.1016/j.bmcl.2008.10.115

  日期：2009.1

  Replacement of the cyclic carbamate in our previously disclosed 1-oxa-3,9-diazaspiro[5.5]undecan-2-one template led to the discovery of two novel series of 3,9-diazaspiro[5.5]undecane and undeca-2-one CCR5 antagonists. The synthesis, SAR, and antiviral activities of these two series are described. One compound (32) was found to have attractive combination of antiviral potency, selectivity, and pharmacokinetic profile. The asymmetric synthesis of 32 was also accomplished and both enantiomers were equally potent. (C) 2008 Elsevier Ltd. All rights reserved.