7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid amide | 5606-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid amide
• 英文别名: 7-Chloro-3-carbamoyl-5-phenyl-2-oxo-2,3-dihydro-1H-benzo[f]-1,4-diazepine；7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxamide
• CAS: 5606-58-6
• 化学式: C₁₆H₁₂ClN₃O₂
• 分子量: 313.743
• InChiKey: IUJBTSZLUYRDGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  84.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid trichloroacetylamide 生成 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid amide
  参考文献：
  名称：

  MOFFETT R. B.; KAMDAR B. V., J. HETEROCYCL. CHEM., 1979, 16, NO 4, 793-797

  摘要：

  DOI：

文献信息

• [EN] BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES DE BENZODIAZEPINE ET COMPOSITIONS PHARMACEUTIQUES LES RENFERMANT
  申请人：ARROW THERAPEUTICS LTD

  公开号：WO2004026843A1

  公开（公告）日：2004-04-01

  Benzodiazepine derivative of formula (I), and pharmaceutically acceptable salts thereof, are found to be active against RSV. Formula (I) Wherein: - R1 represents C1-6 alkyl, aryl or heteroaryl; - R2 represents hydrogen or C1-6 alkyl; - each R3 is the same or different and represents halogen, hydroxy, C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio C1-6 haloalkyl, C1-6 haloalkoxy, amino, mono(C1-6 alkyl)amino, di(C1-6 alkyl)amino, nitro, cyano, -CO2RI, -CONRIRII, -NH-CO-RI, -S(O)RI, -S(O)2RI, -NH-S(O)2RI, -S(O)NRIRII or -S(O)2NRIRII wherein each RI and RII is the same or different and represents hydrogen or C1-6 alkyl; - n is from 0 to 3; R4 represents hydrogen or C1-6 alkyl; - R6 represents C1-6 alkyl, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C1-6 alkyl)-, heteroaryl-(C1-6 alkyl)-, carbocyclyl-(C1-6 alkyl)-, heterocyclyl-(C1-6 alkyl)-, aryl-C(O)-C(O)-, heteroaryl-C(O)-C(O)-, carbocyclyl-C(O)-C(O)-, heterocyclyl-C(O)-C(O)- or, -XR6; - X represents -CO-, -S(O)- or -S(0)2-; and - R6 represents C1-6 alkyl, hydroxy, C1-6 alkoxy, C1-6 alkylthio, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C1-6 alkyl)-, heteroaryl-(C1-6 alkyl)-, carbocyclyl-(C1-6 alkyl)-, heterocyclyl-(C1-6 alkyl)-, aryl-(C 1-6hydroxyalkyl)-, heteroaryl-(C1-6 hydroxyalkyl)-, carbocyclyl-(C1-6 hydroxyalkyl)-, heterocyclyl-(C 1-6 hydroxyalkyl)-, aryl-(C 1-6alkyl)-O-, heteroaryl-(C 1-6alkyl)-O-, carbocyclyl-(C1-6 alkyl)-O-, heterocyclyl-(C1-6 alkyl)-O- or -NRIRII wherein each RI and RII is the same or different and represents hydrogen, C1-6 alkyl, carbocyclyl, heterocyclyl, aryl, heteroaryl, aryl- (C1-6 alkyl)-, heteroaryl-(C1-6 alkyl)-, carbocyclyl-(C1-6 alkyl)- or heterocyclyl-(C1-6 alkyl)-.

  苯二氮卓衍生物的化学式（I）及其药学上可接受的盐被发现对RSV具有活性。化学式（I）其中：- R1代表C1-6烷基，芳基或杂芳基；- R2代表氢或C1-6烷基；- 每个R3相同或不同，代表卤素，羟基，C1-6烷基，C1-6烷氧基，C1-6烷硫基，C1-6卤代烷基，C1-6卤代烷氧基，氨基，单（C1-6烷基）氨基，二（C1-6烷基）氨基，硝基，氰基，-CO2RI，-CONRIRII，-NH-CO-RI，-S(O)RI，-S(O)2RI，-NH-S(O)2RI，-S(O)NRIRII或-S(O)2NRIRII其中每个RI和R...
• [EN] 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] DERIVES AMIDES DE L'ACIDE CARBOXYLIQUE DE 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE 3 ET COMPOSES ASSOCIES EN TANT QU'ANTAGONISTES DE RECEPTEUR DE B1 DE LA BRADYKININE POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：ELAN PHARM INC

  公开号：WO2004098589A1

  公开（公告）日：2004-11-18

  Disclosed are compounds of formula I and II that are bradykinin B1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  公开的是化合物I和II的结构式，它们是激肽酶B1受体拮抗剂，适用于治疗哺乳动物中由激肽酶B1受体介导的疾病，或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计还将表现出延长作用的特性。
• Intermediates for preparing 1,4-benzodiazepine-2-ones having a
  申请人：Clin Midy

  公开号：US03966793A1

  公开（公告）日：1976-06-29

  Intermediates for preparing novel benzodiazepines having the formula ##SPC1## In which R.sub.1 is a hydrogen or halogen atom or a trifluoromethyl, loweralkyl, loweralkoxy, nitro or amino group; R.sub.2 is a furyl, a thienyl, cyclohexyl, a loweralkyl group or a phenyl group which may be substituted by a halogen atom or by a trifluoromethyl, nitro, loweralkoxy or loweralkyl group; and R.sub.3 is a hydrogen atom or a loweralkyl group; and R.sub.4 is lowercarbalkoxy, carbamoyl, N-loweralkylcarbamoyl, N,N-diloweralkylcarbamoyl, N-(diloweralkylaminoalkyl)carbamoyl, a group having the formula --COOCat in which Cat is a cation of an alkali metal or a semication of an alkaline earth metal or COOCat.CatOH, said intermediates being ortho-aminoaryl ketimines having the formula ##SPC2## Wherein R is hydrogen or ##EQU1## R.sub.1, R.sub.2, and R.sub.3 are as defined above, R.sub.4 is a hydrogen atom, a lowercarbalkoxy, carbamoyl, N-loweralkylcarbamoyl, N,N-diloweralkylcarbamoyl, N-(diloweralkylaminoalkyl)-carbamoyl, alkyl or substituted alkyl group; and R.sub.5 is a loweralkyl group.

  用于制备具有以下式子的新型苯二氮平类化合物的中间体：##SPC1## 其中R.sub.1是氢原子、卤素原子或三氟甲基、低碳基、低氧基、硝基或氨基基团；R.sub.2是呋喃基、噻吩基、环己基、低碳基或苯基，其可以被卤素原子或三氟甲基、硝基、低碳氧基或低碳基取代；R.sub.3是氢原子或低碳基；R.sub.4是低碳基酯基、氨酰基、N-低碳基氨基甲酰基、N,N-二低碳基氨基甲酰基、N-(二低碳基氨基烷基)氨基甲酰基、具有公式--COOCat的基团，其中Cat是碱金属的阳离子或碱土金属的半阳离子或COOCat.CatOH，这些中间体是具有以下式子的邻氨基芳基酮亚胺：##SPC2## 其中R是氢原子或##EQU1## R.sub.1、R.sub.2和R.sub.3如上所定义，R.sub.4是氢原子、低碳基酯基、氨酰基、N-低碳基氨基甲酰基、N,N-二低碳基氨基甲酰基、N-(二低碳基氨基烷基)氨基甲酰基、烷基或取代烷基；R.sub.5是低碳基。
• Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists
  申请人：Tung S. Jay

  公开号：US20050020659A1

  公开（公告）日：2005-01-27

  Disclosed are compounds that are bradykinin B 1 receptor antagonists and are useful for treating diseases, or relieving adverse symptoms associated with disease conditions, in mammals mediated by bradykinin B 1 receptor. Certain of the compounds exhibit increased potency and are also expected to exhibit increased duration of action.

  本发明公开了一种布雷肯肽B1受体拮抗剂化合物，可用于治疗哺乳动物中由布雷肯肽B1受体介导的疾病或缓解与疾病状况相关的不良症状。其中某些化合物表现出增强的效力，并且预计也会表现出增强的作用持续时间。
• Benzodiazepine derivatives and pharmaceutical compositions containing them
  申请人：Carter Malcolm

  公开号：US20060040923A1

  公开（公告）日：2006-02-23

  Benzodiazepine derivative of formula (I), and pharmaceutically acceptable salts thereof, are found to be active against RSV. Formula (I) Wherein: —R 1 represents C 1-6 alkyl, aryl or heteroaryl; —R 2 represents hydrogen or C 1-6 alkyl; —each R 3 is the same or different and represents halogen, hydroxy, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylthio, C 1-6 haloalkyl, C 1-6 haloalkoxy, amino, mono(C 1-6 alkyl)amino, di(C 1-6 alkyl)amino, nitro, cyano, —CO 2 R′, —CONR′R″, —NH—CO—R′, —S(O)R′, —S(O) 2 R′, —NH—S(O) 2 R′, —S(O)NR′R″ or —S(O) 2 NR′R″ wherein each R′ and R″ is the same or different and represents hydrogen or C 1-6 alkyl; —n is from 0 to 3; R 4 represents hydrogen or C 1-6 alkyl; —R 6 represents C 1-6 alkyl, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)-, heterocyclyl-(C 1-6 alkyl)-, aryl-C(O)—C(O)—, heteroaryl-C(O)—C(O)—, carbocyclyl-C(O)—C(O)—, heterocyclyl-C(O)—C(O)— or, —XR 6 ; —X represents —CO—, —S(O)— or —S(O) 2 —; and —R 6 represents C 1-6 alkyl, hydroxy, C 1-6 alkoxy, C 1-6 alkylthio, aryl, heteroaryl, carbocyclyl, heterocyclyl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)-, heterocyclyl-(C 1-6 alkyl)-, aryl-(C 1-6 hydroxyalkyl)-, heteroaryl-(C 1-6 hydroxyalkyl)-, carbocyclyl-(C 1-6 hydroxyalkyl)-, heterocyclyl-(C 1-6 hydroxyalkyl)-, aryl-(C 1-6 alkyl)-O—, heteroaryl-(C 1-6 alkyl)-O—, carbocyclyl-(C 1-6 alkyl)-O—, heterocyclyl-(C 1-6 alkyl)-O— or —NR′R″ wherein each R′ and R″ is the same or different and represents hydrogen, C 1-6 alkyl, carbocyclyl, heterocyclyl, aryl, heteroaryl, aryl-(C 1-6 alkyl)-, heteroaryl-(C 1-6 alkyl)-, carbocyclyl-(C 1-6 alkyl)- or heterocyclyl-(C 1-6 alkyl)-.

  公式（I）的苯二氮平衍生物及其药学上可接受的盐被发现对RSV具有活性。公式（I）中：-R1表示C1-6烷基，芳基或杂环芳基；-R2表示氢或C1-6烷基；-每个R3相同或不同，表示卤素，羟基，C1-6烷基，C1-6烷氧基，C1-6烷硫基，C1-6卤代烷基，C1-6卤代烷氧基，氨基，单（C1-6烷基）氨基，双（C1-6烷基）氨基，硝基，氰基，-CO2R'，-CONR'R"，-NH-CO-R'，-S（O）R'，-S（O）2R'，-NH-S（O）2R'，-S（O）NR'R"或-S（O）2NR'R"，其中每个R'和R"相同或不同，表示氢或C1-6烷基；-n为0-3；-R4表示氢或C1-6烷基；-R6表示C1-6烷基，芳基，杂环芳基，碳环基，杂环基，芳基（C1-6烷基），杂环芳基（C1-6烷基），碳环基（C1-6烷基），杂环基（C1-6烷基），芳基-C（O）-C（O）-，杂环芳基-C（O）-C（O）-，碳环基-C（O）-C（O）-，杂环基-C（O）-C（O）-或-XR6；-X表示-CO-，-S（O）-或-S（O）2-；-R6表示C1-6烷基，羟基，C1-6烷氧基，C1-6烷硫基，芳基，杂环芳基，碳环基，杂环基，芳基（C1-6烷氧基），杂环芳基（C1-6烷氧基），碳环基（C1-6烷氧基），杂环基（C1-6烷氧基），芳基（C1-6羟基烷基），杂环芳基（C1-6羟基烷基），碳环基（C1-6羟基烷基），杂环基（C1-6羟基烷基），芳基（C1-6烷基）-O-，杂环芳基（C1-6烷基）-O-，碳环基（C1-6烷基）-O-，杂环基（C1-6烷基）-O-或-NR'R"，其中每个R'和R"相同或不同，表示氢，C1-6烷基，碳环基，杂环基，芳基，杂环芳基，芳基（C1-6烷基），杂环芳基（C1-6烷基），碳环基（C1-6烷基）或杂环基（C1-6烷基）。