o-Amino-5-chlor-hippursaeureethylester | 58483-83-3

• 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: o-Amino-5-chlor-hippursaeureethylester
• 英文别名: 2-Amino-5-chlorhippursaeureethylester；Ethyl (2-amino-5-chlorobenzoyl)aminoacetate；ethyl 2-[(2-amino-5-chlorobenzoyl)amino]acetate
• CAS: 58483-83-3
• 化学式: C₁₁H₁₃ClN₂O₃
• mdl: MFCD12727936
• 分子量: 256.689
• InChiKey: KJZXSUGIIFYAGA-UHFFFAOYSA-N

物化性质

• 沸点：
  416.5±45.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  o-Amino-5-chlor-hippursaeureethylester 在 盐酸 作用下， 反应 11.0h， 生成 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)acetic acid
  参考文献：
  名称：

  Suesse, M.; Johne, S., Journal fur praktische Chemie (Leipzig 1954), 1984, vol. 326, # 2, p. 342 - 348

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯靛红酸酐 、 甘氨酸乙酯盐酸盐 在 吡啶 作用下， 反应 24.0h， 生成 o-Amino-5-chlor-hippursaeureethylester
  参考文献：
  名称：

  Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor

  摘要：

  Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT2C receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K-i 56nM, E-max 90%), which is selective for the 5-HT2C receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in vivo in a rat model of feeding behavior. An SAR study based on WAY-629 led to compound 11 (K-i 13 nM, E-max 102%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.100

文献信息

• Quinazoline-3-alkanoic acid derivatives, their salts and their
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US05234928A1

  公开（公告）日：1993-08-10

  The present invention relates to quinazoline-3-alkanoic acid derivatives having both an inhibitory effect on platelet aggregation and a hindering effect on aldose reductase together, represented by a general formula [I] ##STR1## [wherein R is hydrogen or a protecting group for carboxyl group, R.sup.1 is a lower alkyl group, alkenyl group, alkinyl group, lower alkoxy group, lower alkylthio group, halogen, phenyl group (this phenyl group may be substituted by one to three of lower alkyls, lower alkoxys, halogens, trifluoromethyls, carboxyethylenes or ethoxycarbonylethylenes, naphthyl group, heterocycle (this heterocycle may be substituted by one to three of lower alkyls), cycloalkyl group or benzoyl group (this benzoyl group may be substituted by lower alkyl or halogen), R.sup.2 and R.sup.3 are identically or differently hydrogens, halogens, lower alkyl groups, lower alkoxy groups, aralkyl groups which may be substituted, nitro groups, imidazolyl groups, imidazolylmethyl groups or ##STR2## (R.sup.4 and R.sup.5 indicate identically or differently hydrogens or lower alkyl groups, or connected with each other to make five- or six-membered heterocycles which may contain other hetero atom, X is carbonyl, thiocarbonyl or methylene group (this methylene group may be substituted by lower alkyl group), A is lower alkylene or lower alkenylene, and n indicates an integer of 1 to 3], their salts, their preparation processes and medicinal drugs containing them.

  本发明涉及一种具有抑制血小板聚集和阻碍醛固酮还原酶的效果的喹嗪-3-烷酸衍生物，其由通式[I]表示：##STR1## [其中R为氢或羧基的保护基，R1为较低的烷基、烯基、炔基、较低的烷氧基、较低的烷基硫基、卤素、苯基（该苯基可以被一个到三个较低的烷基、较低的烷氧基、卤素、三氟甲基、羧乙烯或乙氧羰基乙烯替代），萘基、杂环（该杂环可以被一个到三个较低的烷基替代）、环烷基或苯甲酰基（该苯甲酰基可以被较低的烷基或卤素替代），R2和R3均为氢、卤素、较低的烷基、较低的烷氧基、可能被取代的芳基烷基、硝基、咪唑基、咪唑基甲基或##STR2##（R4和R5表示相同或不同的氢或较低的烷基，或连接起来形成五元或六元杂环，可以含有其他杂原子，X为羰基、硫代羰基或亚甲基基（该亚甲基基可以被较低的烷基替代），A为较低的烷基或较低的烯基，n为1到3的整数]，它们的盐、制备过程和含有它们的药物。
• SUESSE, M.;JOHNE, S., J. PRAKT. CHEM., 1984, 326, N 2, 342-348
  作者：SUESSE, M.、JOHNE, S.

  DOI：——

  日期：——