1-(2,6-dichlorophenyl)cyclobutane-1-carbonitrile | 28049-64-1

• 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: 1-(2,6-dichlorophenyl)cyclobutane-1-carbonitrile
• 英文别名: 1-(2,6-Dichlorophenyl)cyclobutanecarbonitrile
• CAS: 28049-64-1
• 化学式: C₁₁H₉Cl₂N
• 分子量: 226.105
• InChiKey: RMRRDPWZDPECRX-UHFFFAOYSA-N

物化性质

• 沸点：
  360.0±42.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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-(2,6-dichlorophenyl)cyclobutane-1-carbonitrile 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 生成 1-(2,6-Dichlorophenyl)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：

  2,6-二氯苯乙腈 、 1,3-二溴丙烷 在 sodium hydride 作用下， 以 乙醚 、 二甲基亚砜 为溶剂， 生成 1-(2,6-dichlorophenyl)cyclobutane-1-carbonitrile
  参考文献：
  名称：

  Facile cycloalkylation of arylacetonitriles in dimethyl sulfoxide

  摘要：

  DOI：

  10.1021/jo00808a035

文献信息

• Cycloalkyl inhibitors of protein farnesyltransferase
  申请人：Warner-Lambert Company

  公开号：US06281194B1

  公开（公告）日：2001-08-28

  Novel inhibitors of protein farnesyltransferase enzymes are described, as well as methods for the preparation and pharmaceutical compositions of the same, which are useful in controlling tissue proliferative diseases, including cancer, restenosis, atherosclerosis, psoriasis and endometriosis.

  本发明涉及蛋白质法尼醇转移酶酶的新型抑制剂，以及制备方法和药物组合物，可用于控制组织增生性疾病，包括癌症、再狭窄、动脉粥样硬化、牛皮癣和子宫内膜异位症。
• KR2017/43091
  申请人：——

  公开号：——

  公开（公告）日：——
• Facile cycloalkylation of arylacetonitriles in dimethyl sulfoxide
  作者：Donald Eugene Butler、Joy C. Pollatz

  DOI：10.1021/jo00808a035

  日期：1971.5
• OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：EP3362445A1

  公开（公告）日：2018-08-22
• [EN] OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉS DÉRIVÉS D'OXADIAZOLE AMINE UTILISÉS EN TANT QU'INHIBITEUR DE L'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE LES COMPRENANT
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2017065473A1

  公开（公告）日：2017-04-20

  The present disclosure relates to novel compounds having histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof, the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions containing the same, a method for treating diseases using the composition, and methods for preparing the novel compounds. The novel compounds, stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present disclosure have histone deacetylase (HDAC) inhibitory activity and are effective for the prevention or treatment of HDAC6-mediated diseases, including infectious diseases; neoplasms; endocrine, nutritional and metabolic diseases; mental and behavioral disorders; neurological diseases; diseases of the eye and adnexa; cardiovascular diseases; respiratory diseases; digestive diseases; diseases of the skin and subcutaneous tissue; diseases of the musculoskeletal system and connective tissue; or congenital malformations, deformations and chromosomal abnormalities.