3-氨基-7-氯-5-苯基-1,3-二氢-苯并[e][1,4]二氮杂-2-酮 | 894-77-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 3-氨基-7-氯-5-苯基-1,3-二氢-苯并[e][1,4]二氮杂-2-酮
• 英文名称: 3-Amino-7-chlor-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-on
• 英文别名: 3-Amino-7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one；3-amino-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
• CAS: 894-77-9
• 化学式: C₁₅H₁₂ClN₃O
• 分子量: 285.733
• InChiKey: TUINAAYXMRLCEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基-7-氯-5-苯基-1,3-二氢-苯并[e][1,4]二氮杂-2-酮 、 金刚烷酰氯 以63%的产率得到
  参考文献：
  名称：

  BOGATSKIJ A. V.; ZHILINA Z. I.; ANDRONATI S. A.; ISAEV S. D.; YURCHENKO A+, FIZIOL. AKTIV. VESHCHESTVA, KIEV, 1979, HO 11, 55-59

  摘要：

  DOI：
• 作为产物：
  描述：

  3-Acetamido-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-on 、 水 以45%的产率得到
  参考文献：
  名称：

  ZHILINA Z. I.; BOGATSKIJ A. V.; ANDRONATI S. A.; DANILINA N. I., XIMIYA GETEROTSIKL. SOEDIN., 1979, HO 4, 545-549

  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。
• Novel compounds useful for bradykinin B1 receptor antagonism
  申请人：Ye Michael Xiaocong

  公开号：US20070032475A1

  公开（公告）日：2007-02-08

  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.

  揭示了一种化合物，它们是布雷金肽B1受体拮抗剂，可用于治疗或缓解由布雷金肽B1受体介导的哺乳动物疾病，或与疾病状况相关的不良症状。
• Benzodiazepine derivatives as app modulators
  申请人：——

  公开号：US20040082572A1

  公开（公告）日：2004-04-29

  A novel class of 1,4- and 1,5-benzodiazepines of formula (I) is disclosed. The compounds modulate the processing of amyloid precursor protein by &ggr;-secretase, and hence find use in the treatment or prevention of conditions associated with the deposition of &bgr;-amyloid, such as Alzheimer's disease. 1

  公开了一种式(I)的新型1,4-和1,5-苯二氮平类化合物。这些化合物调节&ggr;-分泌酶对淀粉样前体蛋白的加工作用，因此可用于治疗或预防与&bgr;-淀粉样蛋白沉积相关的疾病，如阿尔茨海默病。
• [EN] BENZODIAZEPINE DERIVATIVES AS APP MODULATORS<br/>[FR] DERIVES DE BENZODIAZEPINE UTILISES COMME MODULATEURS DE LA PROTEINE PRECURSEUR AMYLOIDE (APP)
  申请人：MERCK SHARP & DOHME

  公开号：WO2001090084A1

  公开（公告）日：2001-11-29

  A novel class of 1,4- and 1,5-benzodiazepines of formula (I) is disclosed. The compounds modulate the processing of amyloid precursor protein by η-secretase, and hence find use in the treatment or prevention of conditions associated with the deposition of β-amyloid, such as Alzheimer's disease.

  一种新型的1,4-和1,5-苯二氮平类化合物的式(I)被揭示。这些化合物通过调节η-分泌酶对淀粉样前体蛋白的加工，因此可用于治疗或预防与β-淀粉样蛋白沉积有关的疾病，如阿尔茨海默病。