3-hydroxy-3-trifluoromethyl-tetrahydro-pyran-4-one | 693245-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 3-hydroxy-3-trifluoromethyl-tetrahydro-pyran-4-one
• 英文别名: 3-Hydroxy-3-(trifluoromethyl)oxan-4-one
• CAS: 693245-82-8
• 化学式: C₆H₇F₃O₃
• 分子量: 184.115
• InChiKey: VVTSENIJZGGIBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1S,3R)-3-amino-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropylcyclopentane-1-carboxamide hydrochloride 、 3-hydroxy-3-trifluoromethyl-tetrahydro-pyran-4-one 在 三乙酰氧基硼氢化钠 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 C₂₄H₂₉F₉N₂O₃
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship of novel CCR2 antagonists

  摘要：

  A series of novel 1-aminocyclopentyl-3-carboxyamides incorporating substituted tetrahydropyran moieties have been synthesized and subsequently evaluated for their antagonistic activity against the human CCR2 receptor. Among them analog 59 was found to posses potent antagonistic activity. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.12.050
• 作为产物：
  描述：

  4,4-二甲氧基四氢-2H-吡喃-3-醇 在 四丙基高钌酸铵 、 4 A molecular sieve 、 四丁基氟化铵 、 N-甲基吗啉氧化物 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 51.17h， 生成 3-hydroxy-3-trifluoromethyl-tetrahydro-pyran-4-one
  参考文献：
  名称：

  [EN] 3,3-DISUBSTITUTED TETRAHYDROPYRANYL CYCLOPENTYL AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  [FR] MODULATEURS DE L'ACTIVITÉ DE RÉCEPTEURS DE CHIMIOKINES EN TÉTRAHYDROPYRANYLCYCLOPENTYLAMIDE DISUBSTITUÉ EN POSITION 3,3

  摘要：

  公开号：

  WO2005105092A3

文献信息

• [EN] CHEMOKING RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE CHIMIOKINES
  申请人：ABBOTT LAB

  公开号：WO2013010453A1

  公开（公告）日：2013-01-24

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein G1, X1, X2, and X3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了化学受体拮抗剂的化学式(I)，其中G1、X1、X2和X3如规范中所定义。还描述了包含这种化合物的组合物；以及使用这种化合物和组合物治疗疾病和疾病的方法。
• 3,3-Disubstituted Tetrahydropyranyl Cyclopentyl Amide Modulators Of Chemokine Receptor Activity
  申请人：Yang Lihu

  公开号：US20080021057A1

  公开（公告）日：2008-01-24

  Compounds of Formula I (wherein n, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 15 , R 16 , R 17 , R 18 , Y and Z are defined herein) which are modulators of chemokine receptor activity and are useful in the prevention or treatment of certain inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which chemokine receptors are involved.
• US7390803B2
  申请人：——

  公开号：US7390803B2

  公开（公告）日：2008-06-24
• US7566726B2
  申请人：——

  公开号：US7566726B2

  公开（公告）日：2009-07-28
• Design, synthesis, and structure–activity relationship of novel CCR2 antagonists
  作者：Shankaran Kothandaraman、Karla L. Donnely、Gabor Butora、Richard Jiao、Alexander Pasternak、Gregori J. Morriello、Stephen D. Goble、Changyou Zhou、Sander G. Mills、Malcolm MacCoss、Pasquale P. Vicario、Julia M. Ayala、Julie A. DeMartino、Mary Struthers、Margaret A. Cascieri、Lihu Yang

  DOI：10.1016/j.bmcl.2008.12.050

  日期：2009.3

  A series of novel 1-aminocyclopentyl-3-carboxyamides incorporating substituted tetrahydropyran moieties have been synthesized and subsequently evaluated for their antagonistic activity against the human CCR2 receptor. Among them analog 59 was found to posses potent antagonistic activity. (C) 2009 Published by Elsevier Ltd.