(4-chlorophenylcarbamoyl)glycine | 3896-28-4

• 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: (4-chlorophenylcarbamoyl)glycine
• 英文别名: N-<4-Chlor-phenyl>-N'--harnstoff；5-(4-chloro-phenyl)-hydantoic acid；N-(4-Chlor-phenylcarbamoyl)-glycin；5-(4-Chlor-phenyl)-hydantoinsaeure；2-[3-(4-chlorophenyl)ureido]acetic acid；N-[(4-Chlorophenyl)carbamoyl]glycine；2-[(4-chlorophenyl)carbamoylamino]acetic acid
• CAS: 3896-28-4
• 化学式: C₉H₉ClN₂O₃
• 分子量: 228.635
• InChiKey: RFHMXKFYEJYINJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  灭草隆 、 聚甘氨酸 以 乙醇 为溶剂， 反应 4.0h， 以90 mg的产率得到(4-chlorophenylcarbamoyl)glycine
  参考文献：
  名称：

  Reaction of trisubstituted ureas with amino-containing compounds

  摘要：

  DOI：

  10.1007/bf00949748

文献信息

• Carboxamide derivatives and their use in the treatment of thromboembolic diseases and tumours
  申请人：——

  公开号：US20040038858A1

  公开（公告）日：2004-02-26

  Compounds of the formula (I), in which the variables have the following meaning, D is phenyl or pyridyl, each of which is unsubstituted or monosubstituted or polysubstituted by Hal, A, OR 2 , N(R 2 ) 2 , NO 2 , CN, COOR 2 or CON(R 2 ) 2 ; R 1 is H, Ar, Het, cycloalkyl or A, which may be substituted by OR 2 , SR 2 , N(R 2 ) 2 , Ar, Het, cycloalkyl, CN, COOR 2 or CON(R 2 ) 2 ; R 2 is H or A; E is phenylene, which may be monosubstituted or polysubstituted by Hal, A, OR 2 , N(R 2 ) 2 , NO 2 , CN, COOR 2 or CON(R 2 ) 2 , or is piperidine-1,4-diyl; W is AR, Het or N(R 2 ) 2 and, if E=piperidine-1,4-diyl, is alternatively R 2 or cycloalkyl, X is NH or O, are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  公式（I）的化合物，其中变量具有以下含义，D是苯基或吡啶基，每个基团未取代或经Hal、A、OR2、N（R2）2、NO2、CN、COOR2或CON（R2）2单取代或多取代；R1为H、Ar、Het、环烷基或A，可能经OR2、SR2、N（R2）2、Ar、Het、环烷基、CN、COOR2或CON（R2）2取代；R2为H或A；E为苯基，可能经Hal、A、OR2、N（R2）2、NO2、CN、COOR2或CON（R2）2单取代或多取代，或为哌啶-1,4-二基；W为AR、Het或N（R2）2，如果E=piperidine-1,4-diyl，则为R2或环烷基，X为NH或O，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病和肿瘤的治疗。
• Carboxamide derivatives
  申请人：Dorsch Dieter

  公开号：US20050137230A1

  公开（公告）日：2005-06-23

  Novel compounds of the formula I in which R 1 , D, E, W, X and n are as defined in claim 1, are inhibitors of coagulation factor Xa and can be employed for the prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumours.

  公式I的新化合物，其中R1、D、E、W、X和n如权利要求1所定义，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞性疾病和肿瘤的治疗。
• BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita Takashi

  公开号：US20130165446A1

  公开（公告）日：2013-06-27

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明解决了寻找既具有PPAR激活活性又具有血管紧张素受体拮抗活性的化合物的问题。本发明是一种由通式（I）表示的苯并或吡啶-咪唑衍生物，其药学上可接受的盐，或其酯或酰胺（其中A是联苯甲基咪唑基，联苯甲基苯并咪唑基或类似物，B是二价苯并咪唑基或类似物，C是羧基或类似物，E是二价苯基，萘基或类似物，G是悬键，氧或类似物，Q是氧或硫，n是从1到6的整数，p是从1到6的整数，V是悬键，氧或类似物，R是氢，烷基或类似物）。
• BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita, Takashi

  公开号：EP2581373A1

  公开（公告）日：2013-04-17

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明要解决的问题是找到一种既具有 PPAR 激活活性又具有血管紧张素受体拮抗活性的化合物。本发明是通式（I）代表的苯并咪唑或吡啶咪唑衍生物、其药学上可接受的盐或其酯或酰胺（其中 A 是联苯甲基咪唑基、联苯甲基苯并咪唑基或类似物，B 是二价苯并咪唑基或类似物、C 是羧基或类似物，E 是二价苯基、萘基或类似物，G 是悬键、氧或类似物，Q 是氧或硫，n 是 1 到 6 的整数，p 是 1 到 6 的整数，V 是悬键、氧或类似物，R 是氢、烷基或类似物）。
• The Synthesis of δ-(p-Chlorophenyl)-hydantoic Acid-Cl³⁶
  作者：Howard H. Woeber

  DOI：10.1021/ja01125a516

  日期：1952.3