benzyl 3-isocyanatobenzoate | 153243-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl 3-isocyanatobenzoate
• CAS: 153243-87-9
• 化学式: C₁₅H₁₁NO₃
• 分子量: 253.257
• InChiKey: JICFGDGUUANMLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2RS,5SR)-1-(2-aminoacetyl)-5-phenylprolinate 、 benzyl 3-isocyanatobenzoate 以 四氢呋喃 为溶剂， 以After treatment, 1 g of tert-butyl (2RS,5SR)-1-{2-[3-(3-benzyloxycarbonylphenyl)-ureido]acetyl)-5-phenylprolinate, melting at 75° C., is obtained的产率得到tert-butyl (2RS,5RS)-1-{2-[3-(3-benzyloxycarbonylphenyl)ureido]-acetyl}-5-phenylprolinate
  参考文献：
  名称：

  Pyrrolidine and thiazolidine derivatives, their preparation and

  摘要：

  本发明涉及式子的组合：##STR1##及其盐，其制备和包含它们的药物。

  公开号：

  US05610144A1

文献信息

• N-acyl pyrrolidines and drugs for the treatment or prevention of
  申请人：Rhone-Poulenc Rorer, S.A.

  公开号：US05624939A1

  公开（公告）日：1997-04-29

  Compounds of formula I ##STR1## wherein the substituents are as defined herein, are disclosed as treatments for disorders linked to CCK and gastrin. Processes for preparing the compounds are also taught.

  公式为I的化合物如下所示：##STR1## 其中取代基的定义如本文所述，被披露作为与CCK和胃泌素相关的疾病的治疗方法。同时，还教授了制备这些化合物的过程。
• Synthesis and pharmacological properties of ureidomethylcarbamoylphenylketone derivatives. A new potent and subtype-selective nonpeptide CCK-B/gastrin receptor antagonist, S-0509
  作者：Sanji Hagishita、Yasushi Murakami、Kaoru Seno、Susumu Kamata、Nobuhiro Haga、Toshiro Konoike、Yasuhiko Kanda、Ryuichi Kiyama、Takeshi Shiota、Yasunobu Ishihara、Michio Ishikawa、Mayumi Shimamura、Koji Abe、Koji Yoshimura

  DOI：10.1016/s0968-0896(97)00104-1

  日期：1997.8

  A novel series of CCK-B/gastrin receptor antagonists-ureidomethylcarbamoylphenylketone derivatives were designed, synthesized, and evaluated for activity. Structure-activity relationship studies revealed the importance of a carboxylic acid at substituent R-2 and a tert-butoxycarbonyl group at R-1 in structure A. Compound 7a (S-0509) showed remarkable affinity for the CCK-B/gastrin receptor and a subtype selectivity profile in vitro. Administration (id) of 7a led to excellent inhibition of gastric acid secretion induced by pentagastrin in anesthetized rats with an ED50 value of 0.014 mg/kg. Furthermore, 7a proved to have poor blood-brain permeability by its small effect on enhancement of morphine analgesia. Thus, S-0509 has an increase in selectivity for the peripheral effects of gastrin antagonism from the central effects of CCK-B antagonism. (C) 1997 Elsevier Science Ltd.
• US5610144A
  申请人：——

  公开号：US5610144A

  公开（公告）日：1997-03-11
• US5633270A
  申请人：——

  公开号：US5633270A

  公开（公告）日：1997-05-27
• US5624939A
  申请人：——

  公开号：US5624939A

  公开（公告）日：1997-04-29