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9H-1,5-benzodiazepine-8-carbonitrile;hydrochloride

中文名称
——
中文别名
——
英文名称
9H-1,5-benzodiazepine-8-carbonitrile;hydrochloride
英文别名
——
9H-1,5-benzodiazepine-8-carbonitrile;hydrochloride化学式
CAS
——
化学式
C10H8ClN3
mdl
——
分子量
205.64
InChiKey
JFXDJDLSLHSZGO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.18
  • 重原子数:
    14
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.1
  • 拓扑面积:
    48.5
  • 氢给体数:
    1
  • 氢受体数:
    3

文献信息

  • 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER
    申请人:F.Hoffmann-La Roche AG
    公开号:EP2897972A1
    公开(公告)日:2015-07-29
  • [EN] 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER<br/>[FR] 2-OXO-2,3,4,5-TÉTRAHYDRO-1 H-BENZO[B]DIAZÉPINES ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
    申请人:HOFFMANN LA ROCHE
    公开号:WO2014044622A1
    公开(公告)日:2014-03-27
    Disclosed are compounds of Formula I or pharmaceutically acceptable salts thereof, wherein W, Y, Z, R1, R2, R3, R4 and R5 are described herein, and methods of using said compounds in the treatment of cancer.
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同类化合物

雷唑巴占 唑美巴占 六氢-2-(硝基亚氨基)-1H-1,3-二氮杂卓 [1,3]恶唑并[3,2-a][1,3]二氮杂卓 7-苯基-3,4-二氢-1H-1,4-二氮杂革-5(2H)-酮 7,8-二氢-1-苯基-6H-吡啶并(3,2,1-jk)(1,4)苯并二氮杂卓-4(3H)-酮 5H-吡咯并[1,2-a][1,4]二氮杂卓 5-甲基-7-苯基-6,7-二氢-1H-1,4-二氮杂-2,3-二甲腈 5-三氟甲基-2,3-二氢-1H-1,4-二氮杂卓 5,7-二苯基-2,3,6,7-四氢-1H-1,4-二氮杂卓 5,7-二甲基-2,3-二氢-1H-[1,4]二氮杂卓高氯酸盐 5,7-二甲基-2,3,5,6-四氢-1H-环戊二烯并[b]吡嗪 4,5,6,7-四氢-1H-1,3-二氮杂卓-2-胺 3,5,7-三苯基-4H-1,2-二氮杂卓 2H-[1,3,5]恶二嗪o[3,2-a][1,3]二氮杂卓 2-甲基硫代-4,5,6,7-四氢-1H-[1,3]二氮杂卓 2-甲基-4,5,6,7-四氢-1H-1,3-二氮杂卓 2,3-二氢-5-甲基-7-三氟甲基-1H-1,4-二氮杂卓 2,3-二氢-5,7-双(三氟甲基)-1H-1,4-二氮杂卓 1-(5-甲氧基-1,4-二氮杂-1-基)乙酮 1,4,5,7,8,9,10,10A-八氢吡啶并[1,2-a][1,4]二氮杂卓 (9ci)-2,3-二氢-N,N-二甲基-1H-1,4-二氮杂卓-6-甲胺 (9ci)-1H-1,2-二氮杂卓-1-羧酸甲酯 (9ci)-1H,3h-噁唑并[3,4-d][1,4]二氮杂卓 (9ci)-1H,3h-噁唑并[3,4-a][1,4]二氮杂卓 8-Phenyl-2,3,6,7-tetrahydro-4H-1,4-diazocin-5-on 1,3-diphenyl-1,2-dihydro-pyridazino[3,4-b]quinoxaline 3-(4-Bromphenyl)-5,6,7,8-tetrahydro-thiazolo<3,2-a>-<1,3>diazepin 2,3-Dihydro-5-methyl-1,4-diazepin 3-Methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,3]diazepine 2,4,10,12,18,20-hexamethyl-1,5,9,13,17,21-hexaaza-cyclotetracosa-1,3,9,11,17,19-hexaene 2-(2-benzylidene-3-((4-methylbenzylidene)hydrazineylidene)-2,3,6,7,8,9-hexahydro-5H-thiazolo[2,3-b]quinazolin-5-yl)phenol 3,11-diphenyl-1,5,9,13-tetraaza-cyclohexadeca-1,3,9,11-tetraene 7,10-dichloro-4-[4-(1,1-difluoroethyl)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]-benzodiazepine hydrochloride 7-bromo-5,6-dihydro-2,3-dimethylpyrido<2,3-b>pyrazine 7-(3-Chloro-4-fluoro-phenyl)-5-trifluoromethyl-2,3-dihydro-1H-[1,4]diazepine 6,14-diphenyl-1,4,8,12-tetraaza-cyclopentadeca-4,6,12,14-tetraene 6,13-diphenyl-1,4,8,11-tetraaza-cyclotetradeca-4,6,11,13-tetraene 7-(3-Chloro-4-fluoro-phenyl)-5-phenyl-2,3-dihydro-1H-[1,4]diazepine 7-(4-Fluoro-phenyl)-5-methyl-2,3-dihydro-1H-[1,4]diazepine 3-(7-methyl-5-oxo-4,5-dihydro-2H-pyrazolo[1,5-a]pyrimidin-1-yl)-but-2-enenitrile 7-(2-Fluoro-5-methyl-phenyl)-5-methyl-2,3-dihydro-1H-[1,4]diazepine trans-diazido(2,3,9,10-tetramethyl-1,4,8,11-tetra-azacyclotetradeca-1,3,8,10-tetraene)cobalt(III) perchlorate 2,2-dimethyl-2,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrimidin-4-one ethyl 4-acetamidodiazepine-1-carboxylate 5,7-dimethyl-4,5,6,7-tetrahydro-1H-[1,4]diazepine-2,3-dicarbonitrile 1,4,8,11-Tetraazacyclotetradeca-4,6,11,13-tetraene,5,7,12,14-tetramethyl- 5,6,6,7a-tetramethyl-3-phenyl-5,6,7,7a-tetrahydro-pyrazolo[1,5-d][1,2,4]oxadiazole