dimethyl 3-(1,2,3,4-tetrahydro-quinolin-6-yl)-pentanedioate | 261732-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: dimethyl 3-(1,2,3,4-tetrahydro-quinolin-6-yl)-pentanedioate
• 英文别名: Dimethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)pentanedioate
• CAS: 261732-40-5
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: VSVNJRMNDKQTLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION
  申请人：Aventis Pharma Limited

  公开号：EP1114028A1

  公开（公告）日：2001-07-11
• US6608084B1
  申请人：——

  公开号：US6608084B1

  公开（公告）日：2003-08-19
• [EN] AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION<br/>[FR] BICYCLES AZA MODULANT L'INHIBITION DE L'ADHESION CELLULAIRE
  申请人：RHONE POULENC RORER LTD

  公开号：WO2000015612A1

  公开（公告）日：2000-03-23

  The invention is directed to physiologically active compounds of formula (I) wherein R1 represents R?3-Z3-, R3-L2-R4-Z3-, R3-L3-Ar1-L4-Z3- or R3-L3-Ar1-L2-R4-Z3-; R2¿ represents hydrogen, halogen, lower alkyl or lower alkoxy; A1 represents a straight chain C¿1-3?alkylene linkage optionally substituted by one or more groups chosen from alkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, imino, oxo, thioxo, or alkyl substituted by -ZR?6, -NY1Y2, -CO¿2R6 or -C(=O)-NY1Y2; L1 represents a direct bond; an alkenylene, alkylene, alkynylene, cycloalkenylene, cycloalkylene, heteroaryldiyl, heterocycloalkylene or arylene linkage each optionally substituted by (a) an acidic functional group, cyano, oxo, -S(O)¿mR?9, R3, -C(=O)-R3, -C(=O)-OR?3, -N(R8¿)-C(=O)-R?9, -N(R8¿)-C(=O)-OR?9, -N(R8)-SO¿2-R?9, -NY4Y5¿ or -[C(=O)-N(R?10)-C(R5)(R11)]¿p-C(=O)-NY4Y5, or by (b) alkyl substituted by an acidic functional group, or by S(O)¿mR?9, -C(=O)-NY?4Y5 or -NY4Y5¿; a -[C(=O)-N(R?10)-C(R5)(R11)]¿p- linkage; a -Z2-R12- linkage; a -C(=O)-CH¿2?-C(=O)- linkage; a -R?12-Z2-R12¿- linkage; a -C(R4)(R13)-[C(=O)-N(R?10)-C(R5)(R11)]¿p- linkage; or a -L5-L6-L7- linkage; Z?1 is C(R7)(R7a¿), C(=O) or CH(OH); Y is carboxy or an acid bioisostere; and the corresponding N-oxides, and their prodrugs; and pharmaceutically acceptable salts and solvates of such compounds and their N-oxides and prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (α4β1).