N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-3-methylphenyl urea | 118101-09-0

• 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-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-3-methylphenyl urea
• 英文别名: (+/-)-L 365260；1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
• CAS: 118101-09-0
• 化学式: C₂₄H₂₂N₄O₂
• 分子量: 398.464
• InChiKey: KDFQABSFVYLGPM-UHFFFAOYSA-N

物化性质

• 溶解度：
  二甲基亚砜：>20mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  73.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3(S)-(2(S)-amino-3-phenylpropanoylamino)-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one 在 三氟乙酸 作用下， 以 四氢呋喃 、 P2 O5 、 二氯甲烷 为溶剂， 生成 N-(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-3-methylphenyl urea
  参考文献：
  名称：

  Benzodiazepine analogs

  摘要：

  公开了一种化学式为##STR1##的苯二氮䓬类似物，它们是胃泌素和胆囊收缩素（CCK）的拮抗剂。

  公开号：

  US04820834A1

文献信息

• New benzodiazepine analogs
  申请人：MERCK & CO. INC.

  公开号：EP0523845A2

  公开（公告）日：1993-01-20

  Pharmaceutical compositions containing benzodiazepine analogs of the formula : are disclosed which are antagonists of gastrin and cholecystokinin (CCK) with enhanced aqueous solubility and have properties useful in the treatment of oncologic disorders, controlling pupil constriction in the eye, or treating a withdrawal response produced by treatment or abuse of drugs or alcohol.

  包含苯二氮䓬类似物的制药组合物的公开，这些类似物是胃泌素和胆囊收缩素（CCK）的拮抗剂，具有增强的水溶性，并具有在治疗肿瘤性疾病、控制眼睛瞳孔收缩或治疗由药物或酒精滥用引起的戒断反应中有用的特性。
• New benziodiazepine analogs
  申请人：MERCK & CO. INC.

  公开号：EP0434360A1

  公开（公告）日：1991-06-26

  Benzodiazepine analogs of the formula: are disdosed which are antagonists of gastrin and cholecystokinin (CCK) with enhanced aqueous solubility and have properties useful in the treatment of disorders of gastric secretion, appetite regulation, gastrointestinal motility, pancreatic secretion, and dopaminergic function, as well as in treatment producing potentiation of morphine and other opiate analgesics.

  已开发出一种苯二氮䓬类似物，其为胃泌素和胆囊收缩素（CCK）的拮抗剂，具有增强的水溶性，并具有在治疗胃分泌障碍、食欲调节、胃肠蠕动、胰腺分泌和多巴胺功能障碍方面有用的特性，同时在产生吗啡和其他阿片类镇痛药的增效治疗中也具有作用。
• Carbamate Oxime Reduction: A New Route to C3-Amino-1,4-benzodiazepines
  作者：Sylvie Bourrain、Graham A. Showell

  DOI：10.1055/s-1994-25513

  日期：——

  A mild reduction method of C3-oximido-1,4-benzodiazepines to afford the C3-amino derivatives is described. The key step involves the formation of a carbamate oxime intermediate. The greater reactivity of the C3-(ethylaminocarbonyl)oximido-1,4-benzodiazepine towards hydrogenation, compared to the parent C3-oxime, enables the reduction to take place at ambient temperature using palladium-on-carbon. The mild conditions are more suitable for sensitive amines such as 3,5-diamino-1,4-benzodiazepines.

  描述了一种温和的还原方法，将C3-氧肟基-1,4-苯二氮杂平还原为C3-氨基衍生物。关键步骤涉及形成一个碳酸酯氧肟中间体。与母体C3-氧肟相比，C3-(乙氨基羰基)氧肟基-1,4-苯二氮杂平对氢化具有更高的反应性，使得在常温下使用碳载钯进行还原成为可能。这种温和的条件更适合于像3,5-二氨基-1,4-苯二氮杂平这样的敏感胺。
• Methods of antagonizing CCK or gastrin with benzodiazepine analogs
  申请人：Merck & Co., Inc.

  公开号：US05004741A1

  公开（公告）日：1991-04-02

  Methods of antagonizing gastrin and/or cholecystokinin (CCK) with benzodiazepine analogs are disclosed, as well as related pharmaceutical compositions, which are useful in treating disorders of the gastrointestinal tract, central nervous system, and of the appetite.

  本发明揭示了一种使用苯二氮平类似物拮抗胃泌素和/或胆囊收缩素（CCK）的方法，以及相关的制药组合物，这些组合物对治疗胃肠道、中枢神经系统和食欲障碍有用。
• Canine Cholecystokinin 1 Receptor Materials And Their Use
  申请人：Dai Heng

  公开号：US20080124741A1

  公开（公告）日：2008-05-29

  Canine CCK1 receptor materials are described, such as polypeptides having amino acid sequences corresponding to SEQ ID Nos.: 14, 15, and 16 or functional variants thereof and polynucleotides expressing them having nucleic acid sequences corresponding to SEQ ID Nos.: 11, 12, and 13 or complements thereof. Such materials are useful as reagents in drug screening assays to identify compounds having CCK1R-modulating activity.

  描述了犬CCK1受体材料，例如具有与SEQ ID Nos：14、15和16相对应的氨基酸序列或其功能变体的多肽和表达它们的具有与SEQ ID Nos：11、12和13相对应的核酸序列或其补体的多核苷酸。这些材料可用作试剂，在药物筛选分析中识别具有CCK1R调节活性的化合物。