β-[[5-[4-(aminoiminomethyl)phenyl]-1-oxopentyl]amino]-4-phenoxybenzenepropanoic acid | 147525-18-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: β-[[5-[4-(aminoiminomethyl)phenyl]-1-oxopentyl]amino]-4-phenoxybenzenepropanoic acid
• 英文别名: 3-[5-(4-Carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoic acid
• CAS: 147525-18-6
• 化学式: C₂₇H₂₉N₃O₄
• 分子量: 459.545
• InChiKey: QTGQFFLTMFKCIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Peptide mimetic compounds useful as platelet aggregation inhibitors
  申请人：G.D. Searle & Co.

  公开号：EP0513810A1

  公开（公告）日：1992-11-19

  The present invention relates to a class of compounds represented by the formula: or a pharmaceutically acceptable salt thereof, wherein W is the radical OR₁ wherein R₁ is hydrido, alkyl, phenyl, phenylalkyl which may be further substituted; or W is the amino radical of the formula NHOH; R₂ is hydrido, alkyl, alkenyl, cycloalkyl, cycloalkenyl which may be further substituted; or R₂ is phenyl, phenylalkyl, naphthyl, naphthylalkyl which may be further substituted; or R₂ is a heteromonocyclic ring structure having 5 or 6 ring carbon atoms wherein 1 or 2 of the ring carbon atoms are replaced by nitrogen, oxygen or sulfur and wherein the ring is selected from saturated, partially unsaturated, and fully unsaturated rings or a fused bicyclic ring structure having 10 to 12 ring carbon atoms wherein 1 to 3 of the ring carbon atoms may be replaced by nitrogen, oxygen or sulfur and each ring may independently be saturated, partially unsaturated or fully unsaturated which may be further stituted; R₃ and R₄ are each independently selected from hydrido, alkyl having 1 to 6 carbon atoms, hydroxy and halo; R₅ and R₆ are each independently selected from hydrido, alkyl having 1 to 6 carbon atoms, hydroxy, halo and alkoxy having 1 to 6 carbon atoms; and Y is alkyl having 1 to 6 carbon atoms, alkenyl having 2 to 6 carbon atoms, alkynyl having 2 to 6 carbon atoms or carbonylalkyl which may be further substituted. Such compounds and compositions thereof have usefulness as inhibitors of platelet aggregation.

  本发明涉及一类由式表示的化合物： 或其药学上可接受的盐，其中 W 是基 OR₁，其中 R₁ 是可被进一步取代的氢基、烷基、苯基、苯基烷基；或 W 是式 NHOH 的氨基；R₂ 是可被进一步取代的氢基、烷基、烯基、环烷基、环烯基；或 R₂ 是可被进一步取代的苯基、苯基烷基、萘基、萘基烷基；或 R₂ 是具有 5 或 6 个环碳原子的杂单环结构，其中 1 或 2 个环碳原子被氮、氧或硫取代，且该环选自饱和环、部分不饱和环和完全不饱和环，或具有 10 至 12 个环碳原子的融合双环结构，其中 1 至 3 个环碳原子可被氮、氧或硫取代，且每个环可独立为饱和环、部分不饱和环或完全不饱和环，可进一步被取代；R₃和 R₄各自独立地选自氢基、具有 1-6 个碳原子的烷基、羟基和卤基；R₅和 R₆ 各自独立地选自氢基、具有 1-6 个碳原子的烷基、羟基、卤基和具有 1-6 个碳原子的烷氧基；Y 是具有 1-6 个碳原子的烷基、具有 2-6 个碳原子的烯基、具有 2-6 个碳原子的炔基或可进一步取代的羰基烷基。 此类化合物及其组合物可用作血小板聚集抑制剂。
• US5220050A
  申请人：——

  公开号：US5220050A

  公开（公告）日：1993-06-15
• [EN] PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：WO1992020705A1

  公开（公告）日：1992-11-26

  (EN) This invention relates to a compound having formula (I) or a pharmaceutically acceptable salt thereof which are useful in the inhibition of platelet aggregation. This invention also relates to pharmaceutical compositions of such phenyl amidines derivatives.(FR) L'invention permet d'obtenir le composé de formule (I) ou son sel pharmaceutiquement acceptable utilisés pour inhiber l'agrégation des plaquettes. L'invention concerne également des compositions pharmaceutiques contenant des dérivés phénylamidines de ce type.