methyl 4-methyl-3-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzoate

• 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: methyl 4-methyl-3-[[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]amino]benzoate
• 化学式: C₂₁H₂₃NO₆
• 分子量: 385.4
• InChiKey: VBOGAPASVYFOLW-PKNBQFBNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders
  申请人：Kranich Remo

  公开号：US20080249107A1

  公开（公告）日：2008-10-09

  Pharmaceutical compositions comprising at least one compound of the formulas (Ia) or (Ib) and a pharmaceutically acceptable carrier which is useful in a medicine wherein the symbols, indices and substituents have the following meaning R 1 ═H, CN, NO 2 , CF 3 , F, Cl, Br, I, CH 3 R 2 ═H, CN, NO 2 , CF 3 , F, Cl, Br, I, CH 3 , Et, n-Pr, i-Pr, n-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl and either R 1 or R 2 must be H R 3 ═H, CN, NO 2 , CF 3 , F, Cl, Br, I, CH 3 , Et, n-Pr, i-Pr, n-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl then X is e.g. with R 4 being H, CH 3 , CH 2 CH 3 or and Y being or the pharmaceutically acceptable salts, esters or amides and prodrugs of the above identified compounds of formulas (Ia) or (Ib). The compounds are applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.

  含有式(Ia)或(Ib)中至少一种化合物和药学上可接受的载体的制药组合物，在医学上有用。其中符号、指数和取代基的含义如下： R1═H、CN、NO2、CF3、F、Cl、Br、I、CH3 R2═H、CN、 、 、F、Cl、Br、I、 、Et、n-Pr、i-Pr、n-Bu、t-Bu、苯基、噻吩基、呋喃基、噻唑基，且R1或R2中必须有一个为H R3═H、CN、 、 、F、Cl、Br、I、 、Et、n-Pr、i-Pr、n-Bu、t-Bu、苯基、噻吩基、呋喃基、噻唑基 然后X为例如，R4为H、 、CH2 或，Y为或上述式(Ia)或(Ib)中识别的化合物的药学上可接受的盐、酯或酰胺以及前药。这些化合物被应用于调节由E、P或L选择素结合介导的体内和体外结合过程。
• NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS
  申请人：Revotar Biopharmaceuticals AG

  公开号：EP1732882A1

  公开（公告）日：2006-12-20
• US8367677B2
  申请人：——

  公开号：US8367677B2

  公开（公告）日：2013-02-05
• [EN] NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] MIMETIQUES PSGL-1 DE PETITES MOLECULES NON PEPTIDIQUES/NON GLYCOSIDIQUES/NON GLYCOSYLEES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：REVOTAR BIOPHARMACEUTICALS AG

  公开号：WO2005090284A1

  公开（公告）日：2005-09-29

  Pharmaceutical compositions comprising at least one compound of the formulas (Ia) or (Ib) and a pharmaceutically acceptable carrier which is useful in a medicine, formula (Ia) and formula (Ib), wherein the symbols, indices and substituents have the following meaning R1=H, CN, NO2, CF3, F, Cl, Br, I, CH3 R2=H, CN, NO2, CF3, F, Cl, Br, I, CH3, Et, n-Pr, i-Pr, n-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl and either R1 or R2 must be H R3=H, CN, NO2, CF3, F, Cl, Br, I, CH3, Et, n-Pr, i-Pr, n-Bu, t-Bu, phenyl, thienyl, furyl, thiazolyl then X is e.g., formula (II), or, formula (III), with R4 being H, CH3, CH2CH3 or, formula (IV), or, formula (V), and Y being, formula (VI), or, formula (VII), or the pharmaceutically acceptable salts, esters or amides and prodrugs of the above identified compounds of formula (Ia) or (Ib). The compounds are applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or L-selectin binding.