Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]- | 443920-37-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Benzonitrile, 4-[(1-methyl-1H-imidazol-5-yl)carbonyl]-
• 英文别名: 4-(3-methylimidazole-4-carbonyl)benzonitrile
• CAS: 443920-37-4
• 化学式: C₁₂H₉N₃O
• 分子量: 211.22
• InChiKey: YYLHZLOUPLZTDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt
  申请人：Janssen Pharmaceutica NV

  公开号：US20150105366A1

  公开（公告）日：2015-04-16

  The present invention comprises compounds of Formula I. wherein: R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , and R 9 are defined in the specification. The invention also comprises a method of treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is rheumatoid arthritis or psoriasis. The invention also comprises a method of modulating RORγt activity in a mammal by administration of a therapeutically effective amount of at least one compound of claim 1.

  本发明包括式I的化合物。 其中： R1、R2、R3、R4、R5、R6、R7、R8和R9在说明书中定义。 本发明还包括治疗或改善综合征、紊乱或疾病的方法，其中所述综合征、紊乱或疾病为类风湿性关节炎或银屑病。本发明还包括通过给予治疗有效量的至少一个权利要求1的化合物，来调节哺乳动物中RORγt活性的方法。
• Farnesyltransferase inhibitors
  申请人：——

  公开号：US20030087940A1

  公开（公告）日：2003-05-08

  Substituted imidazoles and thiazoles having the formula 1 are useful for inhibiting farnesyltransferase. Also disclosed are farnesyltransferase-inhibiting compositions and methods of inhibiting farnesyltransferase in a patient.

  具有以下化学式的取代咪唑和噻唑对抑制法尼基转移酶具有用处。还公开了抑制法尼基转移酶的组合物和在患者中抑制法尼基转移酶的方法。
• [EN] IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZOLYLCÉTONE EN TANT QU'INHIBITEURS DE L'ALDOSTÉRONE SYNTHASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013120771A1

  公开（公告）日：2013-08-22

  The invention provides novel compounds having the general formula (I), wherein R1, R2, R3 and R4 n are as described herein, compositions including the compounds and methods of using the compounds as inhibitors of aldosterone synthase.

  这项发明提供了具有一般式(I)的新化合物，其中R1、R2、R3和R4 n如本文所述，包括这些化合物的组合物以及将这些化合物用作醛固酮合成酶抑制剂的方法。
• NEW IMIDAZOLYLKETONE DERIVATIVES
  申请人：HOFFMANN-LA ROCHE INC.

  公开号：US20140128429A1

  公开（公告）日：2014-05-08

  The invention provides novel compounds having the general formula (I) wherein R 1 , R 2 , R 3 and R 4 n are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有一般式（I）的新化合物，其中R1、R2、R3和R4n如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。
• Cycloheptene compounds
  申请人：——

  公开号：US20020156113A1

  公开（公告）日：2002-10-24

  Compound of formula (I): 1 wherein: X represents a bond or alkylene, CO, S(O) n , —S(O) n —A 1 —, —CO—A 1 —, —A—S(O) n —A′ 1 — or —A 1 —CO—A′ 1 —, Y represents aryl, heteroaryl, cycloalkyl or heterocycloalkyl, each unsubstituted or substituted, R 1 , R 2 , R 3 and R 4 each independently of the others represent hydrogen or aryl, heteroaryl, cycloalkyl or heterocycloalkyl, each unsubstituted or substituted, or R 1 , R 2 , R 3 and R 4 , taken in pairs, together form a bond, or form a fused benzene ring or a fused aromatic or partially unsaturated heterocycle, T represents —CH(R 5 )—, —N(R 5 )— or —N(R 5 )CO—, V represents hydrogen or unsubstituted or substituted aryl or heteroaryl, A 2 represents [C(R 6 )(R′ 6 )] p , R 7 and R 8 are as defined in the description, their isomers and addition salts thereof with a pharmaceutically acceptable acid or base and medicinal products containing the same are useful as farnesyl transferase inhibitors.

  化合物的结构式（I）如下：其中：X代表键或烷基，CO，S（O）n，—S（O）n—A1—，—CO—A1—，—A—S（O）n—A′1—或—A1—CO—A′1—，Y代表芳基，杂芳基，环烷基或杂环烷基，均未取代或取代，R1、R2、R3和R4各自独立地代表氢或芳基，杂芳基，环烷基或杂环烷基，均未取代或取代，或者R1、R2、R3和R4成对取代，形成一个键，或形成一个融合苯环或融合芳香或部分不饱和的杂环，T代表—CH（R5）—，—N（R5）—或—N（R5）CO—，V代表氢或未取代或取代的芳基或杂芳基，A2代表[C（R6）（R′6）]p，R7和R8如描述中所定义，它们的异构体和与药学上可接受的酸或碱形成的加合物以及含有它们的药物制剂可用作法尼酰转移酶抑制剂。