3-{3-[1-(Isopropyl-phenyl-carbamoylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]-ureido} benzoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-{3-[1-(Isopropyl-phenyl-carbamoylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]-ureido} benzoic acid
• 英文别名: 3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
• 化学式: C₃₄H₃₁N₅O₆
• 分子量: 605.65
• InChiKey: CABBMMXFOOZVMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  139
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-bromo-N-isopropyl-N-phenyl-acetamide 在 potassium carbonate 、 溶剂黄146 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 3-{3-[1-(Isopropyl-phenyl-carbamoylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]-ureido} benzoic acid
  参考文献：
  名称：

  Discovery of 1,5-Benzodiazepines with Peripheral Cholecystokinin (CCK-A) Receptor Agonist Activity (II):  Optimization of the C3 Amino Substituent

  摘要：

  Analogs of the previously reported 1,5-benzodiazepine peripheral cholecystokinin (CCK-A) receptor agonist 1 were prepared which explore substitution and/or replacement of the C-3 phenyl urea moiety. Agonist efficacy on the isolated guinea pig gallbladder (GPGB) was retained with a variety of substituted ureas and amide analogs. Three compounds were identified which were orally active in the mouse gallbladder emptying assay (MGBE). The 2-indolamide (52) and N-(carboxymethyl)-2-indolamide (54) derivatives had improved affinity for the human CCK-A receptor but reduced agonist efficacy on the GPGB. Neither indolamide was orally active in a rat feeding assay. In contrast, the (3-carboxyphenyl)urea derivative (29, GW7854) had moderately increased affinity for the human CCK-B receptor but was a potent full agonist on the GPGB and was orally active in both the MGBE and rat feeding assays. GW7854 was a full agonist (EC(50) = 60 nM) for calcium mobilization on CHO K1 cells expressing hCCK-A receptors and a potent antagonist; of CCK-8 (pA(2) = 9.1) on CHO K1 cells expressing hCCK-B receptors. GW7854 is a potent mixed CCK-A agonist/CCK-B antagonist which is orally active in two in vivo models of CCK-A-mediated agonist activity.

  DOI：

  10.1021/jm9601664

文献信息

• Electrospun pharmaceutical compositions
  申请人：——

  公开号：US20030017208A1

  公开（公告）日：2003-01-23

  The present invention is directed to an electrospun pharmaceutical composition comprising a pharmaceutically acceptable actibe agent, and a pharmaceutically acceptable polymeric carrier for use in therapy.

  本发明涉及一种电纺制备的药物组合物，包括一种药学上可接受的活性药物和一种药学上可接受的聚合物载体，用于治疗。
• CCK-1 Receptor Modulators
  申请人：Breitenbucher Guy J.

  公开号：US20070249698A1

  公开（公告）日：2007-10-25

  Certain imidazole compounds are CCK1 modulators useful in the treatment of CCK1 mediated diseases.

  某些咪唑化合物是CCK1调节剂，可用于治疗CCK1介导的疾病。
• ELECTROSPUN PHARMACEUTICAL COMPOSITIONS
  申请人：SmithKline Beecham Corporation

  公开号：EP1251829A1

  公开（公告）日：2002-10-30
• EP1251829A4
  申请人：——

  公开号：EP1251829A4

  公开（公告）日：2009-05-06
• US5646140A
  申请人：——

  公开号：US5646140A

  公开（公告）日：1997-07-08