(2R)-3-phenyl-2-(3-phenylpropanamido)propanoic acid | 54759-60-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2R)-3-phenyl-2-(3-phenylpropanamido)propanoic acid
• 英文别名: 3-phenyl-2-(R)-(3-phenyl-propionylamino)-propionic acid；N-(3-phenyl-propionyl)-D-phenylalanine；(2R)-3-phenyl-2-(3-phenylpropanoylamino)propanoic acid
• CAS: 54759-60-3
• 化学式: C₁₈H₁₉NO₃
• 分子量: 297.354
• InChiKey: PKOVGZQJPDDEJO-MRXNPFEDSA-N

物化性质

• 沸点：
  555.4±50.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  对硝基苯酚 、 (2R)-3-phenyl-2-(3-phenylpropanamido)propanoic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 乙酸乙酯 为溶剂， 反应 2.5h， 以78%的产率得到N-(3-phenyl-propionyl)-D-phenylalanine p-nitrophenyl ester
  参考文献：
  名称：

  [EN] BORONIC ACID THROMBIN INHIBITORS
  [FR] INHIBITEURS DE THROMBINE A BASE D'ACIDES BORONIQUES

  摘要：

  公开号：

  WO2005084687A3
• 作为产物：
  描述：

  3-phenyl-2-(R)-(3-phenyl-propionylamino)-propionic acid methyl ester 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 (2R)-3-phenyl-2-(3-phenylpropanamido)propanoic acid
  参考文献：
  名称：

  Melanocortin receptor ligands

  摘要：

  公开了MC-4和/或MC-3受体配体，该配体具有按照式（I）的结构：其中R2、R4、R4'、R5、R6、R6'、R7、R8、R8'、R9、R9'、R10、Ar、Z1、Z2、Z3、X、B、D、p、q、r和s如说明书和索赔中所述，以及其光学异构体、二对映异构体或对映体；药用盐、水合物和生物水解酯、酰胺或亚酰胺。还公开了包括式（I）配体的药物组合物，以及治疗由MC-4/MC-3受体介导的疾病的方法，如说明书的详细描述部分所述。

  公开号：

  US20060128613A1

文献信息

• Peptide boronic acid compounds useful in anticoagulation
  申请人：Combe-Marzelle Marie Sophie

  公开号：US20050282757A1

  公开（公告）日：2005-12-22

  A method for preventing thrombosis in a setting where rapid onset and/or rapid offset of anticoagulation is required, comprising administering a compound selected from the group consisting of boronic acids which have a neutral thrombin P1 domain linked to a hydrophobic moiety capable of binding to the thrombin S2 and S3 subsites, and pharmaceutically acceptable salts, prodrugs and pharmaceutically acceptable prodrug salts of such acids.

  一种用于在需要快速发生和/或快速停止抗凝的情况下预防血栓形成的方法，包括给予从羟基烷基部位能够结合凝血酶S2和S3亚位点的中性凝血酶P1结构域的硼酸化合物中选择的化合物，以及这些酸的药学上可接受的盐、前药和药学上可接受的前药盐。
• WO2022/265577
  申请人：——

  公开号：——

  公开（公告）日：——
• MELANOCORTIN RECEPTOR LIGANDS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP1409540A2

  公开（公告）日：2004-04-21
• Boronic acid thrombin inhibitors
  申请人：Wang Shouming

  公开号：US20070185060A1

  公开（公告）日：2007-08-09

  A thrombin inhibitor selected from boronic acids of formula (I), and salts, prodrugs and prodrug salts thereof: wherein X is H (to form NH 2 ) or an amino-protecting group; aa 1 is an amino acid residue having a side chain selected from formula (A) and (B)—(CO) a —(CH 2 ) b -D c -(CH 2 ) d -E (A), —(CO) a —(CH 2 ) b -D c -C e (E 1 )(E 2 )(E 3 ) wherein E 1 , E 2 and E 3 are 5-6 membered saturated or unsaturated hydrocarbyl rings, or one of E 1 , E 2 and E 3 is hydrogen and the other two are a said hydrocarbyl ring, E, E 1 , E 2 and E 3 optionally being halogenated when saturated and mandatorily being halogenated when unsaturated, a particular halogen being fluorine; aa 2 is a residue of an amino acid which binds to the thrombin S2 subsite; and R 9 is a straight chain alkyl group interrupted by one or more ether linkages or R 9 is —(CH2)mW and W is —OH or halogen.
• [EN] MELANOCORTIN RECEPTOR LIGANDS<br/>[FR] LIGANDS DE RECEPTEURS DE LA MELANOCORTINE
  申请人：PROCTER & GAMBLE

  公开号：WO2002026774A2

  公开（公告）日：2002-04-04

  Disclosed are MC-4 and/or MC-3 receptor ligands, the ligands having a structure according to Formula (I): wherein R?2, R4, R4', R5, R6, R6', R7, R8, R8', R9, R9', R10, Ar, Z1, Z2, Z3¿, X, B, D, p, q, r and s are as described in the specification and claims, and optical isomers, diastereomers or enantiomers thereof; pharmaceutically-acceptable salts, hydrates, and biohydrolyzable esters, amides or imides thereof. Also disclosed are pharmaceutical compositions comprising the ligands of Formula (I), as well as methods of treating diseases mediate by the MC-4/MC-3 receptors, as described in the Detailed Descriptions section of the specification.