2-Cyclohexyl-4-chlorphenoxy-essigsaeure | 19774-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Cyclohexyl-4-chlorphenoxy-essigsaeure
• 英文别名: (4-chloro-2-cyclohexyl-phenoxy)-acetic acid；O-(4-Chlor-2-cyclohexyl-phenyl)-glykolsaeure；(4-Chlor-2-cyclohexyl-phenoxy)-essigsaeure；2-(4-Chloro-2-cyclohexylphenoxy)acetic acid
• CAS: 19774-97-1
• 化学式: C₁₄H₁₇ClO₃
• mdl: MFCD09048751
• 分子量: 268.74
• InChiKey: OGVODSDQXYUSDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基磺酰胺 、 2-Cyclohexyl-4-chlorphenoxy-essigsaeure 在 4-二甲氨基吡啶 、 聚碳化二亚胺 作用下， 以 二氯甲烷 为溶剂， 以27%的产率得到2-(4-chloro-2-cyclohexylphenoxy)-N-(methylsulfonyl)acetamide
  参考文献：
  名称：

  2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists

  摘要：

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.019
• 作为产物：
  描述：

  Ethyl (4-chloro-2-cyclohexylphenoxy)acetate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以85%的产率得到2-Cyclohexyl-4-chlorphenoxy-essigsaeure
  参考文献：
  名称：

  2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists

  摘要：

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.05.019

文献信息

• [EN] CRTH2 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE CRTH2
  申请人：NOVARTIS AG

  公开号：WO2005105727A1

  公开（公告）日：2005-11-10

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R1, R2, R3, X, Y, Z, m, and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据该发明提供了化合物的公式(I)的自由或盐形式，其中R1、R2、R3、X、Y、Z、m和n如规范中所述，以及制备它们的过程，以及它们作为药物的用途。
• Crth2 Receptor Antagonists
  申请人：Sandham David Andrew

  公开号：US20080269335A1

  公开（公告）日：2008-10-30

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R<1>, R<2>, R<3>, X, Y, Z, m, and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据本发明，提供了式(I)的化合物，其以自由形式或盐形式存在，其中R <1>，R <2>，R <3>，X，Y，Z，m和n如规范中所述，以及制备它们的过程和它们作为药物的用途。
• New Compounds. New Compounds as Plant Growth Regulators
  作者：Melvin Newman、William Fones、Mary Renoll

  DOI：10.1021/ja01195a604

  日期：1947.3
• CRTH2 RECEPTOR ANTAGONISTS
  申请人：Novartis AG

  公开号：EP1756032A1

  公开（公告）日：2007-02-28
• 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists
  作者：David A. Sandham、Clive Aldcroft、Urs Baettig、Lucy Barker、David Beer、Gurdip Bhalay、Zarin Brown、Gerald Dubois、David Budd、Louise Bidlake、Emma Campbell、Brian Cox、Brian Everatt、David Harrison、Catherine J. Leblanc、Jodie Manini、Rachael Profit、Rowan Stringer、Katy S. Thompson、Katharine L. Turner、Morris F. Tweed、Christoph Walker、Simon J. Watson、Steven Whitebread、Jennifer Willis、Gareth Williams、Caroline Wilson

  DOI：10.1016/j.bmcl.2007.05.019

  日期：2007.8

  High throughput screening identified a phenoxyacetic acid scaffold as a novel CRTh2 receptor antagonist chemotype, which could be optimised to furnish a compound with functional potency for inhibition of human eosinophil shape change and oral bioavailability in the rat. (c) 2007 Elsevier Ltd. All rights reserved.