(E)-tert-butyl (1-(4-(2-styryl-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)phenyl)cyclobutyl)carbamate | 1374263-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-tert-butyl (1-(4-(2-styryl-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)phenyl)cyclobutyl)carbamate
• 英文别名: tert-butyl [1-(4-{2-[(E)-2-phenylethenyl]-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl}phenyl)cyclobutyl]carbamate；tert-butyl N-[1-[4-[4-[(E)-2-phenylethenyl]-2,5,13,15-tetrazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl]phenyl]cyclobutyl]carbamate
• CAS: 1374263-64-5
• 化学式: C₃₇H₃₅N₅O₂
• 分子量: 581.717
• InChiKey: DHIPTQZAMJDIHR-LTGZKZEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-tert-butyl (1-(4-(2-styryl-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)phenyl)cyclobutyl)carbamate 在 钯 氢气 作用下， 以 tetrahydrofuran methanol 为溶剂， 以to give the title compound 1HNMR (CDCl3) 400 MHz δ: 8.10 (dd, J=7.7, 1.4 Hz, 1H), 7.99 (dd, J=4.6, 1.2 Hz, 1H), 7.34-7.27 (m, 3H), 7.24 (d, J=6.9 Hz, 1H), 7.18 (d, J=7.5 Hz, 2H), 7.14 (td, J=7.5, 1.2 Hz, 1H), 6.95 (d, J=7.5 Hz, 1H), 6.90 (d, J=7.5 Hz, 2H), 6.78 (d, J=7.5 Hz, 1H), 6.59 (dd, J=8.0, 4.6 Hz, 1H), 6.29 (s, 1H), 5.08 (s, 1H), 3.12-3.07 (m, 2H), 3.01-2.95 (m, 2H), 2.56-2.38 (m, 4H), 2.16-2.07 (m, 1H), 1.91-1.82 (m, 1H), 1.48-1.19 (m, 9H)的产率得到1-(4-(2-phenethyl-9H-benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepin-3-yl)phenyl)cyclobutanamine
  参考文献：
  名称：

  Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds

  摘要：

  本发明涉及取代苯并咪唑吡啶-二氮杂环化合物及其合成方法。本发明还涉及含有取代苯并咪唑吡啶-二氮杂环化合物的制药组合物以及通过向需要此类化合物和制药组合物的受试者施用这些化合物和制药组合物来治疗细胞增殖性疾病，如癌症的方法。

  公开号：

  US20120108574A1

文献信息

• Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds
  申请人：Ashwell Mark A.

  公开号：US08569331B2

  公开（公告）日：2013-10-29

  The present invention relates to substituted benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted benzo[f]imidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及取代的苯并[f]咪唑并[1,2-d]吡啶[2,3-b][1,4]二氮杂环化合物及其合成方法。本发明还涉及含有取代的苯并[f]咪唑并[1,2-d]吡啶[2,3-b][1,4]二氮杂环化合物的制药组合物，以及通过将这些化合物和制药组合物用于需要的受体中来治疗细胞增殖性疾病，如癌症的方法。
• US8569331B2
  申请人：——

  公开号：US8569331B2

  公开（公告）日：2013-10-29
• [EN] SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS<br/>[FR] COMPOSÉS DE BENZO-IMIDAZO-PYRIDO-DIAZÉPINE SUBSTITUÉS
  申请人：ARQULE INC

  公开号：WO2012061342A2

  公开（公告）日：2012-05-10

  The present invention relates to substituted benzo-imidazo-pyrido-diazepine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted benzo-imidazo-pyrido-diazepine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.
• Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds
  申请人：Ashwell Mark A.

  公开号：US20120108574A1

  公开（公告）日：2012-05-03

  The present invention relates to substituted benzo-imidazo-pyrido-diazepine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted benzo-imidazo-pyrido-diazepine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及取代的苯并咪唑吡啶二氮杂化合物及其合成方法。本发明还涉及含有取代的苯并咪唑吡啶二氮杂化合物的药物组合物，以及通过向需要的主体施用这些化合物和药物组合物来治疗细胞增殖性障碍，如癌症的方法。