3-(3-Methoxyphenyl)-3-(2-{4-{(2-pyridinylamino)methyl]phenoxy}-4-pyrimidinyl)propanoic acid

• 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: 3-(3-Methoxyphenyl)-3-(2-{4-{(2-pyridinylamino)methyl]phenoxy}-4-pyrimidinyl)propanoic acid
• 英文别名: 3-(3-Methoxyphenyl)-3-[2-[4-[(pyridin-2-ylamino)methyl]phenoxy]pyrimidin-4-yl]propanoic acid
• 化学式: C₂₆H₂₄N₄O₄
• 分子量: 456.501
• InChiKey: WUPTZODTYSDNEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Propanoic acid derivatives
  申请人：Celltech Therapeutics Limited

  公开号：US20020035092A1

  公开（公告）日：2002-03-21

  Propanoic acid derivatives of formula (1) are described: Ar—X 1 —Ar 1 —Z—R  (1) in which Ar is a nitrogen base containing group; X 1 is linker atom or group; Ar 1 is an optionally substituted 5- or 6-membered nitrogen-containing aromatic or non-aromatic monocycle; Z is a group —CH(R 13 )CH 2 — [in which R 13 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group], —C(R 12a )(R 13 )—CH(R 12b )— [in which R 12a and R 12b together with the carbon atoms to which they are attached form a C 3-7 cycloalkyl group] or C(R 13 )═CH—; R is a carboxylic acid (—CO 2 H) or a derivative or biostere thereof; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of &agr; v integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了化学式（1）的丙酸衍生物： Ar-X1-Ar1-Z-R  (1) 其中，Ar是含氮基团；X1是连接原子或基团；Ar1是可选地取代的含氮芳香或非芳香单环的5-或6-成员；Z是一个基团-CH（R13）CH2- [其中R13是可选的脂肪，环状脂肪，杂原子脂肪，杂环状脂肪，芳香或杂芳香基团]，-C（R12a）（R13）-CH（R12b）- [其中R12a和R12b与它们所连接的碳原子共同形成C3-7环烷基团]或C（R13）HCH- ；R是羧酸（-CO2H）或其衍生物或生物立体异构体；以及它们的盐，溶剂合物，水合物和N-氧化物。这些化合物能够抑制αv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。
• PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS
  申请人：CELLTECH THERAPEUTICS LIMITED

  公开号：EP1133488A1

  公开（公告）日：2001-09-19
• US6319922B1
  申请人：——

  公开号：US6319922B1

  公开（公告）日：2001-11-20
• [EN] PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS<br/>[FR] DERIVES D'ACIDE PROPANOIQUE UTILISES EN TANT QU'INHIBITEURS DES INTEGRINES
  申请人：CELLTECH THERAPEUTICS LTD

  公开号：WO2000031067A1

  公开（公告）日：2000-06-02

  Propanoic acid derivatives of formula (1) are described: Ar-X1-Ar1-Z-R in which Ar is a nitrogen base containing group; X1 is linker atom or group; Ar1 is an optionally substituted 5- or 6-membered nitrogen-containing aromatic or non-aromatic monocycle; Z is a group -CH(R13)CH2- [in which R13 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group], -C(R?12a)(R13)-CH(R12b¿)- [in which R?12a and R12b¿ together with the carbon atoms to which they are attached form a C¿3-7?cycloalkyl group] or C(R?13¿)=CH-; R is a carboxylic acid (-CO¿2?H) or a derivative or biostere thereof; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of αV integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.