2-{4-[(2,6-Dichlorobenzyl)oxy]benzyl}3-(2,6-dimethoxyanilino)-3-oxopropanoic acid | 263356-08-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-{4-[(2,6-Dichlorobenzyl)oxy]benzyl}3-(2,6-dimethoxyanilino)-3-oxopropanoic acid
• 英文别名: 2-{4-[(2,6-Dichlorobenzyl)oxy]benzyl}-3-(2,6-dimethoxyanilino)-3-oxopropanoic acid；2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-(2,6-dimethoxyanilino)-3-oxopropanoic acid
• CAS: 263356-08-7
• 化学式: C₂₅H₂₃Cl₂NO₆
• 分子量: 504.367
• InChiKey: XYYGHSPOHUHQAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  94.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 2-{4-[(2,6-Dichlorobenzyl)oxy]benzyl}-3-(2,6-dimethoxyanilino)-3-oxopropanoate 以 四氢呋喃 、 水 为溶剂， 以54%的产率得到2-{4-[(2,6-Dichlorobenzyl)oxy]benzyl}3-(2,6-dimethoxyanilino)-3-oxopropanoic acid
  参考文献：
  名称：

  US6534513

  摘要：

  公开号：

文献信息

• Phenylalkanoic acid derivatives
  申请人：Celltech R&D Limited

  公开号：US06534513B1

  公开（公告）日：2003-03-18

  Phenylalkanoic acid derivatives of formula (1) are described: wherein Ar1 is an aromatic or heteroaromatic group; L1 is a covalent bond or a linker atom or group; A is an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, polycycloaliphatic, heterocycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group; R is a carboxylic acid (—CO2H) or a derivative thereof; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of alpha 4 integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了公式（1）的苯基烷基酸衍生物：其中Ar1是芳香族或杂芳族基；L1是共价键或连接原子或基团；A是可选取代的脂肪族，杂脂肪族，环脂肪族，多环脂肪族，杂环脂肪族，多杂环脂肪族，芳香族或杂芳族基；R是羧酸（-CO2H）或其衍生物；以及其盐，溶剂合物，水合物和N-氧化物。这些化合物能够抑制α4整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病。
• PHENYLALKANOIC ACID DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS
  申请人：CELLTECH THERAPEUTICS LIMITED

  公开号：EP1117646A1

  公开（公告）日：2001-07-25
• US6534513B1
  申请人：——

  公开号：US6534513B1

  公开（公告）日：2003-03-18
• [EN] PHENYLALKANOIC ACID DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS<br/>[FR] DERIVES D'ACIDE PHENYLALCANOIQUE COMME INHIBITEURS D'INTEGRINES ALPHA-4
  申请人：CELLTECH THERAPEUTICS LTD

  公开号：WO2000020396A1

  公开（公告）日：2000-04-13

  Phenylalkanoic acid derivatives of formula (1) are described; wherein Ar1 is an aromatic or heteroaromatic group; L1 is a covalent bond or a linker atom or group; A is an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, polycycloaliphatic, heterocycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group; R is a carboxylic acid (-CO2H) or a derivative thereof; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of alpha 4 integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.
• US6534513
  申请人：——

  公开号：——

  公开（公告）日：——