4-(6-(6-aminopyrimidin-4-ylamino)-7H-purin-8-yl)-3,5-dichlorobenzonitrile | 1334410-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 4-(6-(6-aminopyrimidin-4-ylamino)-7H-purin-8-yl)-3,5-dichlorobenzonitrile
• 英文别名: 4-[6-[(6-aminopyrimidin-4-yl)amino]-7H-purin-8-yl]-3,5-dichlorobenzonitrile
• CAS: 1334410-54-6
• 化学式: C₁₆H₉Cl₂N₉
• 分子量: 398.214
• InChiKey: RLWWYPNTFPDOHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Lai Yingjie

  公开号：US20130096104A1

  公开（公告）日：2013-04-18

  The invention provides compounds of Formulas Ia-Ib, stereoisomers or pharmaceutically acceptable salts thereof, wherein A, X, R 1 , R 2 , R 4 , R 5 and R 16 are defined herein, a pharmaceutical composition that includes a compound of Formulas Ia-Ib and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of using the compound or composition in therapy, as an inhibitor of TYK2 kinase and conditions related, such as inflammatory illnesses, inflammatory bowel disease or psoriasis.

  本发明提供了公式Ia-Ib的化合物、立体异构体或其药学上可接受的盐，其中A、X、R1、R2、R4、R5和R16在此定义，一种包括公式Ia-Ib化合物和药学上可接受的载体、佐剂或车载物的药物组合物，以及使用该化合物或组合物作为TYK2激酶的抑制剂和相关疾病的治疗方法，例如炎症性疾病、炎症性肠病或牛皮癣。
• [EN] IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS D'IMIDAZOPYRIDINE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011113802A2

  公开（公告）日：2011-09-22

  The invention provides compounds of Formulas Ia-Ib, stereoisomers or pharmaceutically acceptable salts thereof, wherein A, X, R1, R2, R4, R5 and R16 are defined herein, a pharmaceutical composition that includes a compound of Formulas Ia-Ib and a pharmaceutically acceptable carrier, adjuvant or vehicle, and methods of using the compound or composition in therapy.