2-(2,4-dichlorophenyl)ethylglycine | 1040074-96-1

• 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: 2-(2,4-dichlorophenyl)ethylglycine
• 英文别名: 2-[2-(2,4-Dichlorophenyl)ethylazaniumyl]acetate
• CAS: 1040074-96-1
• 化学式: C₁₀H₁₁Cl₂NO₂
• 分子量: 248.109
• InChiKey: WCERMYSQMSKTDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,4-dichlorophenyl)ethylglycine 、 9-芴甲基-N-琥珀酰亚胺基碳酸酯 在 三乙胺 、 盐酸 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 以90%的产率得到[(2-(2,4-dichlorophenyl)ethyl)-(9-fluorenylmethoxycarbonyl)amino]acetic acid
  参考文献：
  名称：

  Peptoids bearing tertiary amino residues in the n-alkyl side chains: synthesis of a potent inhibitor of Semaphorin 3A

  摘要：

  A study on the preparation of N-alkylglycines (peptoids) that contain tertiary amino residues on the N-alkyl side chains is reported. The appropriate combination of the submonomer strategy with N-alkylglycine monomer couplings depending upon the structure of the N-alkyl side chain that must be incorporated into the peptoid is determinant for the efficiency of the synthetic pathway. The application of this strategy to the preparation of SICHI, an N-alkyglycine trimer containing tertiary amino residues in the three N-alkyl branches, and that has been identified as a potent Semaphorin 3A inhibitor, is presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.090
• 作为产物：
  描述：

  tert-butyl (2-(2,4-dichlorophenyl)ethylamino)acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以100%的产率得到2-(2,4-dichlorophenyl)ethylglycine
  参考文献：
  名称：

  Peptoids bearing tertiary amino residues in the n-alkyl side chains: synthesis of a potent inhibitor of Semaphorin 3A

  摘要：

  A study on the preparation of N-alkylglycines (peptoids) that contain tertiary amino residues on the N-alkyl side chains is reported. The appropriate combination of the submonomer strategy with N-alkylglycine monomer couplings depending upon the structure of the N-alkyl side chain that must be incorporated into the peptoid is determinant for the efficiency of the synthetic pathway. The application of this strategy to the preparation of SICHI, an N-alkyglycine trimer containing tertiary amino residues in the three N-alkyl branches, and that has been identified as a potent Semaphorin 3A inhibitor, is presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.090

文献信息

• COMPOUNDS WHICH CAN BLOCK THE RESPONSE TO CHEMICAL SUBSTANCES OR THERMAL STIMULI OR MEDIATORS OF INFLAMMATION OF NOCICEPTORS, PRODUCTION METHOD THEREOF AND COMPOSITIONS CONTAINING SAME
  申请人：Diverdrugs, S.L.

  公开号：EP1506970A1

  公开（公告）日：2005-02-16

  The invention relates to compounds having formula (I), which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, a production method thereof and compositions containing same. According to the invention, Ar is a phenyl group substituted with one or more halogen groups; R1 is amino, hydroxyl or thiol, all of which may or may not be substituted with formula (II) or with aliphatic or cyclic groups; R2 is H or an alkyl, aryl, aralkyl or acyl group or formula (III); R3 is H or formula (IV); R4 and R6 are H or an aliphatic or cyclic group; R5 is H or formula (V); R7 is H or an aliphatic or cyclic group; Z is amino, hydroxyl or thiol, all of which may or may not be substituted with aliphatic or cyclic groups; W is a linkage or formula (VI); X is a linkage or formula (VII); Y is amino which may or may not be substituted with formula (VIII) or an alkyl, aryl, aralkyl or acyl group; m, q and s can vary between 1 and 9 and n and p can vary between 1 and 10.

  本发明涉及具有式(I)的化合物、其生产方法和含有该化合物的组合物，该化合物可阻断痛觉感受器对化学物质或热刺激或炎症介质的反应。根据本发明，Ar 是被一个或多个卤素基团取代的苯基；R1 是氨基、羟基或硫醇，它们都可以或不可以被式（II）或脂肪族或环状基团取代；R2 是 H 或烷基、芳基、芳烷基或酰基或式（III）；R3 是 H 或式（IV）；R4 和 R6 是 H 或脂肪族或环状基团；R5 是 H 或式（V）；R7 是 H 或脂肪族或环状基团； Z 是氨基、羟基或硫醇，它们都可以或不可以被脂肪族或环状基团取代； W 是连接基或式（VI）； X 是连接基或式（VII）； Y 是氨基，它可以或不可以被式（VIII）或烷基、芳基、芳烷基或酰基取代； m、q 和 s 可以在 1 和 9 之间变化，n 和 p 可以在 1 和 10 之间变化。
• Compounds which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, production method thereof and compositions containing same
  申请人：Montiel Ferrer Antonio

  公开号：US20050130907A1

  公开（公告）日：2005-06-16

  The invention relates to compounds having formula (I), which can block the response to chemical substances or thermal stimuli or mediators of inflammation of nociceptors, a production method thereof and compositions containing same. According to the invention, Ar is a phenyl group substituted with one or more halogen groups; R 1 is amino, hydroxyl or thiol, all of which may or may not be substituted with formula (II) or with aliphatic or cyclic groups; R 2 is H or an alkyl, aryl, aralkyl or acyl group or formula (III); R 3 is H or formula (IV); R 4 and R 6 are H or an aliphatic or cyclic group; R 5 is H or formula (V); R 7 is H or an aliphatic or cyclic group; Z is amino, hydroxyl or thiol, all of which may or may not be substituted with aliphatic or cyclic groups; W is a linkage or formula (VI); X is a linkage or formula (VII); Y is amino which may or may not be substituted with formula (VIII) or an alkyl, aryl, aralkyl or acyl group; m, q and s can vary between 1 and 9 and n and p can vary between 1 and 10.
• US7183430B2
  申请人：——

  公开号：US7183430B2

  公开（公告）日：2007-02-27
• Peptoids bearing tertiary amino residues in the n-alkyl side chains: synthesis of a potent inhibitor of Semaphorin 3A
  作者：Joaquim Messeguer、Isabel Masip、Marisol Montolio、Jose Antonio del Rio、Eduardo Soriano、Angel Messeguer

  DOI：10.1016/j.tet.2010.01.090

  日期：2010.3

  A study on the preparation of N-alkylglycines (peptoids) that contain tertiary amino residues on the N-alkyl side chains is reported. The appropriate combination of the submonomer strategy with N-alkylglycine monomer couplings depending upon the structure of the N-alkyl side chain that must be incorporated into the peptoid is determinant for the efficiency of the synthetic pathway. The application of this strategy to the preparation of SICHI, an N-alkyglycine trimer containing tertiary amino residues in the three N-alkyl branches, and that has been identified as a potent Semaphorin 3A inhibitor, is presented. (C) 2010 Elsevier Ltd. All rights reserved.