N-((3RS)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(pyridin-2-yl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea | 155412-37-6

• 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: N-((3RS)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(pyridin-2-yl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea
• 英文别名: N-((3RS)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea；1-[3-(dimethylamino)phenyl]-3-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea
• CAS: 155412-37-6
• 化学式: C₂₉H₃₂N₆O₃
• 分子量: 512.611
• InChiKey: INMWFCCMIFVEPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间二甲氨基苯甲酸 、 三乙胺 在 二苯基膦叠氮化物 作用下， 以 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， 以20%, 91%的产率得到N-((3RS)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(pyridin-2-yl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-dimethylaminophenyl)urea
  参考文献：
  名称：

  Benzodiazepine derivatives useful as CCK-receptor antagonists

  摘要：

  这项发明涉及苯二氮䓬啶衍生物，这些衍生物可用作具有胃泌素和/或CCK-B受体拮抗作用的药物，并涉及它们的生产。

  公开号：

  US05688943A1

文献信息

• ANTITUMOR AGENTS
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：EP1391203A1

  公开（公告）日：2004-02-25

  Since it has been confirmed that the antitumor agents of the invention containing as the active agent (3R)-N-(1-(1-tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea favorably inhibit the proliferation of cancer in various cancer-bearing mice and have a low toxicity, they are particularly useful in treating pancreatic cancer, intestinal cancer and gastric cancer. In case of using the medicaments of the invention particularly in polypharmaceutical chemotherapy, administration dose of an antitumor agent having strong side effects can be lowered, so that realization of a polypharmaceutical chemotherapy achieving a favorable antitumor effect and reduced side effects can be expected.

  由于已证实本发明的抗肿瘤剂含有作为活性剂的(3R)-N-(1-(1-叔丁基羰基甲基)-2,3-二氢-2-氧代-5-(2-吡啶基)-1H-1、4-苯并二氮杂卓-3-基)-N'-(3-(甲基氨基)苯基)脲能有效抑制各种癌症小鼠的癌细胞增殖，且毒性低，特别适用于治疗胰腺癌、肠癌和胃癌。特别是在多药化疗中使用本发明的药物时，可以降低副作用大的抗肿瘤药物的用药剂量，从而有望实现抗肿瘤效果好、副作用小的多药化疗。
• Antitumor agents
  申请人：——

  公开号：US20040138207A1

  公开（公告）日：2004-07-15

  Since it has been confirmed that the antitumor agents of the invention containing as the active agent (3R)-N-(1-(1-tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4-benzodiazepin-3-yl)-N′-(3-(methylamino)phenyl)urea favorably inhibit the proliferation of cancer in various cancer-bearing mice and have a low toxicity, they are particularly useful in treating pancreatic cancer, intestinal cancer and gastric cancer. In case of using the medicaments of the invention particularly in polypharmaceutical chemotherapy, administration dose of an antitumor agent having strong side effects can be lowered, so that realization of a polypharmaceutical chemotherapy achieving a favorable antitumor effect and reduced side effects can be expected.

  由于已证实本发明的抗肿瘤剂含有作为活性剂的(3R)-N-(1-(1-叔丁基羰基甲基)-2,3-二氢-2-氧代-5-(2-吡啶基)-1H-1、4-苯并二氮杂卓-3-基)-N′-(3-(甲基氨基)苯基)脲能有效抑制各种癌症小鼠的癌细胞增殖，且毒性低，特别适用于治疗胰腺癌、肠癌和胃癌。特别是在多药化疗中使用本发明的药物时，可以降低副作用大的抗肿瘤药物的用药剂量，从而有望实现抗肿瘤效果好、副作用小的多药化疗。
• BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0628033A1

  公开（公告）日：1994-12-14
• Benzodiazepine derivatives useful as CCK-Receptor Antagonists
  申请人：Ferring BV

  公开号：EP1342719B1

  公开（公告）日：2011-04-13
• US5688943A
  申请人：——

  公开号：US5688943A

  公开（公告）日：1997-11-18