benzyl N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate | 154064-10-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzyl N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate
• CAS: 154064-10-5
• 化学式: C₃₁H₂₆N₄O₄
• 分子量: 518.572
• InChiKey: WUSUAGHELDVEIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate 在 氢溴酸 作用下， 以 二氯甲烷 为溶剂， 生成 1-[2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
  参考文献：
  名称：

  Synthesis and biological activity of 5-heteroaryl benzodiazepines: analogues of YM022

  摘要：

  A novel series of analogues of the potent gastrin/CCK-B receptor antagonist YM022 have been prepared which incorporate 5- and 6-membered heteroaromatic rings in the benzodiazepine 5-position. The 5-(2-pyridyl) derivatives in particular retained good in vitro and in vivo potency and one such compound 9i was shown to inhibit acid secretion after oral dosing in dogs. improved bioavailability for 9i over the 5-phenyl analogue, 9h was demonstrated in rats.

  DOI：

  10.1016/0960-894x(95)00557-a
• 作为产物：
  描述：

  2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸 在 氨 、 sodium hydride 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 甲醇 为溶剂， 生成 benzyl N-[1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]carbamate
  参考文献：
  名称：

  Synthesis and biological activity of 5-heteroaryl benzodiazepines: analogues of YM022

  摘要：

  A novel series of analogues of the potent gastrin/CCK-B receptor antagonist YM022 have been prepared which incorporate 5- and 6-membered heteroaromatic rings in the benzodiazepine 5-position. The 5-(2-pyridyl) derivatives in particular retained good in vitro and in vivo potency and one such compound 9i was shown to inhibit acid secretion after oral dosing in dogs. improved bioavailability for 9i over the 5-phenyl analogue, 9h was demonstrated in rats.

  DOI：

  10.1016/0960-894x(95)00557-a

文献信息

• NOVEL BENZODIAZEPINE DERIVATIVE
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0647632A1

  公开（公告）日：1995-04-12

  A novel benzodiazepine derivative represented by general formula (I) or a pharmaceutically acceptable salt thereof. These compounds are useful as medicines, in particular, for treating and preventing diseases in which CCK-B receptor and gastrin receptor participate, because they have CCK-B receptor antagonism, gastrin receptor antagonism and the effect of inhibiting gastric juice secretion.

  由通式(I)代表的新型苯并二氮杂卓衍生物或其药学上可接受的盐。这些化合物具有 CCK-B 受体拮抗作用、胃泌素受体拮抗作用以及抑制胃液分泌的作用，因此可用作药物，特别是用于治疗和预防有 CCK-B 受体和胃泌素受体参与的疾病。
• US5561130A
  申请人：——

  公开号：US5561130A

  公开（公告）日：1996-10-01
• Synthesis and biological activity of 5-heteroaryl benzodiazepines: analogues of YM022
  作者：Graeme Semple、Hamish Ryder、David A. Kendrick、Michael Szelke、Mitsuaki Ohta、Masato Satoh、Akito Nishida、Shinobu Akuzawa、Keiji Miyata

  DOI：10.1016/0960-894x(95)00557-a

  日期：1996.1

  A novel series of analogues of the potent gastrin/CCK-B receptor antagonist YM022 have been prepared which incorporate 5- and 6-membered heteroaromatic rings in the benzodiazepine 5-position. The 5-(2-pyridyl) derivatives in particular retained good in vitro and in vivo potency and one such compound 9i was shown to inhibit acid secretion after oral dosing in dogs. improved bioavailability for 9i over the 5-phenyl analogue, 9h was demonstrated in rats.