1-(3-phenoxyphenyl)cyclobutanecarbonitrile | 1260838-00-3

• 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: 1-(3-phenoxyphenyl)cyclobutanecarbonitrile
• 英文别名: 1-(3-Phenoxyphenyl)cyclobutane-1-carbonitrile
• CAS: 1260838-00-3
• 化学式: C₁₇H₁₅NO
• 分子量: 249.312
• InChiKey: GQPNTMWUEWRMAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-phenoxyphenyl)cyclobutanecarbonitrile 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 生成 1-(3-Phenoxyphenyl)cyclobutane-1-carboxylic acid
  参考文献：
  名称：

  Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO)

  摘要：

  N-(5-Chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide (N-CDPCB, 1a) is found to be an inhibitor of the fat mass and obesity associated protein (FTO). The crystal structure of human FTO with la reveals a novel binding site for the FTO inhibitor and defines the molecular basis for recognition by FTO of the inhibitor. The identification of the new binding site offers new opportunities for further development of selective and potent inhibitors of FTO, which is expected to provide information concerning novel therapeutic targets for treatment of obesity or obesity-associated diseases.

  DOI：

  10.1021/acs.jmedchem.5b00702
• 作为产物：
  描述：

  3-苯氧基苯乙腈 、 1,3-二溴丙烷 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 1-(3-phenoxyphenyl)cyclobutanecarbonitrile
  参考文献：
  名称：

  Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO)

  摘要：

  N-(5-Chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide (N-CDPCB, 1a) is found to be an inhibitor of the fat mass and obesity associated protein (FTO). The crystal structure of human FTO with la reveals a novel binding site for the FTO inhibitor and defines the molecular basis for recognition by FTO of the inhibitor. The identification of the new binding site offers new opportunities for further development of selective and potent inhibitors of FTO, which is expected to provide information concerning novel therapeutic targets for treatment of obesity or obesity-associated diseases.

  DOI：

  10.1021/acs.jmedchem.5b00702

文献信息

• [EN] NOVEL TRPV3 MODULATORS<br/>[FR] NOUVEAUX MODULATEURS DE TRPV3
  申请人：ABBOTT LAB

  公开号：WO2012019315A1

  公开（公告）日：2012-02-16

  Disclosed herein are modulators of TRPV3 of formula (I), wherein G1, X1, X2, X3, X4, X5, G2, Z1, Ra, Rb, u, and p are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文公开了式（I）的TRPV3调节剂，其中G1、X1、X2、X3、X4、X5、G2、Z1、Ra、Rb、u和p的定义如规范中所述。还提供了包含这些化合物的组合物以及使用这些化合物和组合物治疗疾病和疾病的方法。
• NOVEL TRPV3 MODULATORS
  申请人：AbbVie Inc.

  公开号：US20130150409A1

  公开（公告）日：2013-06-13

  Disclosed herein are modulators of TRPV3 of formula (I) wherein G 1 , X 1 , X 2 , X 3 , X 4 , X 5 , G 2 , Z 1 , R a , R b , u, and p are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文披露了具有以下结构的TRPV3调节剂（I）其中G1、X1、X2、X3、X4、X5、G2、Z1、Ra、Rb、u和p如规范中所定义。还提供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。
• US9156788B2
  申请人：——

  公开号：US9156788B2

  公开（公告）日：2015-10-13