1-(1-Naphthyl)cyclobutanecarbonitrile | 56477-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(1-Naphthyl)cyclobutanecarbonitrile
• 英文别名: 1-naphthalen-1-ylcyclobutane-1-carbonitrile
• CAS: 56477-60-2
• 化学式: C₁₅H₁₃N
• 分子量: 207.275
• InChiKey: SLEZGFBWLYEXCO-UHFFFAOYSA-N

物化性质

• 沸点：
  143 °C(Press: 0.4 Torr)
• 密度：
  1.0976 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(1-Naphthyl)cyclobutanecarbonitrile 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 potassium hydroxide 作用下， 以 二氯甲烷 、 乙二醇 为溶剂， 生成
  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：

  1-萘乙腈 、 1,3-二溴丙烷 在 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 生成 1-(1-Naphthyl)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

• US6124354
  申请人：——

  公开号：——

  公开（公告）日：——
• MAKOSZA M.; LUDWIKOW M.; URNIAZ A., ROCS. CHEM. <ROCH-AC>, 1975, 49, NO 2, 297-306
  作者：MAKOSZA M.、 LUDWIKOW M.、 URNIAZ A.

  DOI：——

  日期：——
• MNDZHOYAN A. L.; BADALYAN V. E.; SAMODUROVA A. G., AJKAKAN KIMIAKAN AMSAGIR, ARM. XIM. ZH. <AUKZ-AN>, 1976, 29, HO 2, 194-19+
  作者：MNDZHOYAN A. L.、 BADALYAN V. E.、 SAMODUROVA A. G.

  DOI：——

  日期：——
• US6124354A
  申请人：——

  公开号：US6124354A

  公开（公告）日：2000-09-26
• Identification of A Novel Small-Molecule Binding Site of the Fat Mass and Obesity Associated Protein (FTO)
  作者：Wu He、Bin Zhou、Weijia Liu、Meizi Zhang、Zhenhua Shen、Zhifu Han、Qingwei Jiang、Qinghua Yang、Chuanjun Song、Ruiyong Wang、Tianhui Niu、Shengna Han、Lirong Zhang、Jie Wu、Feima Guo、Renbin Zhao、Wenquan Yu、Jijie Chai、Junbiao Chang

  DOI：10.1021/acs.jmedchem.5b00702

  日期：2015.9.24

  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.