N-(3,3-diphenylpropyl)-3-aminopropionic 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: N-(3,3-diphenylpropyl)-3-aminopropionic acid
• 英文别名: 3-(3,3-Diphenylpropylamino)propanoic acid
• 化学式: C₁₈H₂₁NO₂
• 分子量: 283.37
• InChiKey: RGVIGJZCAXUNHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(3,3-Diphenyl-propylamino)-propionic acid methyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 N-(3,3-diphenylpropyl)-3-aminopropionic acid
  参考文献：
  名称：

  N-, α-, and β-Substituted 3-Aminopropionic acids: design, syntheses and antiseizure activities

  摘要：

  A treatment for epilepsy is proposed based on analogues of 3-aminopropionic acid (beta-alanine), a putative neurotransmitter in the central nervous system (CNS). A model three point pharmacophore was proposed based on modelling data obtained from the study of antagonists for both the glial gamma-aminobutyric acid (GABA)-uptake site and the glycine co-agonist site of N-methyl-D-aspartate (NMDA) receptor. Three series of 3-aminopropionic acids containing, N-, alpha-, and beta-substituents, were designed and synthesized to probe the position and the size of a lipophilic binding pocket within the proposed pharmacophore. These analogues were tested in vivo for both their antiseizure activities and their neurologic toxicities. Among the fourteen novel 3-aminopropionic acids synthesized, eight were found to have promising antiseizure activity. This study shows that substitution on the N-terminus confers the greatest antiseizure activity, particularly against pilocarpine-induced seizures. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00330-9

文献信息

• Derivatives of urea and related diamines, methods for their manufacture, and uses therefor
  申请人：Galapagos SAS

  公开号：EP2366698A1

  公开（公告）日：2011-09-21

  Compounds of formula (I): Z is >CH-, >C=CH- or >N-, R1 and R2 are optionally substituted and are the same or different, and each represents an aryl group, a heteroaryl group, or Z, R1 and R2 form a fused ring structure of formula: in which A represents a single bond, or linking group, R3 represents hydrogen, a group selected from: -AlkCOOR, -AlkNR7R8, -AlkCONR7R8, -AlkCOR9, -AlkSO2NR10R10', -AlkOR1O, and -AlkS(O)nR10, in which Alk is alkyl, R is hydrogen or alkyl, R7 and R8 each represents H, optionally substituted alkyl, alkylaminoalkyl, or dialkylaminoalkyl, or CONR7R8 forms an optionally substituted heterocycle, and R'° and R10' are hydrogen atom, optionally substituted alkyl, an alkylaminoalkyl group, an optionally substituted cycle, optionally spaced by an Alk group as defined, Q represents >C=O or >C=S, R5 is a hydrogen atom or an alkyl, alkoxy, hydroxyalkyl, alkylthio, or thioalkyl group, p is 1, 2 or 3, q is 0, 1 or 2, R6 represents an optionally substituted aryl or heteroaryl group, and salts and esters thereof, are useful as calcimimetics in therapy.

  式(I)化合物：Z 是 >CH-、>C=CH- 或 >N-，R1 和 R2 被任选取代且相同或不同，且各自代表芳基、杂芳基或 Z，R1 和 R2 形成式（I）的融合环结构，其中 A 代表单键或连接基团，R3 代表氢、选自下列的基团-AlkCOOR、-AlkNR7R8、-AlkCONR7R8、-AlkCOR9、-AlkSO2NR10R10'、-AlkOR1O 和 -AlkS(O)nR10，其中 Alk 是烷基，R 是氢或烷基，R7 和 R8 分别代表 H、任选取代的烷基、烷基氨基烷基或烷基酰胺基、烷基氨基烷基或二烷基氨基烷基，或 CONR7R8 形成一个任选取代的杂环，R'° 和 R10'分别代表氢原子、任选取代的烷基、烷基氨基烷基、任选取代的循环、任选取代的杂环、任选取代的杂环、任选取代的杂环、一个任选取代的循环，任选由一个如定义的烷基间隔，Q 代表 >C=O 或 >C=S，R5 是氢原子或烷基、烷氧基、羟基烷基、烷硫基或硫代烷基，p 是 1、2 或 3，q 是 0、1 或 2，R6 代表任选取代的芳基或杂芳基，以及它们的盐和酯，可用作治疗中的钙亚胺类药物。
• HCV NS3 PROTEASE INHIBITORS
  申请人：ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A.

  公开号：EP1230260A1

  公开（公告）日：2002-08-14
• US6995177B1
  申请人：——

  公开号：US6995177B1

  公开（公告）日：2006-02-07
• US7501429B2
  申请人：——

  公开号：US7501429B2

  公开（公告）日：2009-03-10
• [EN] HCV NS3 PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASE NS3 HCV
  申请人：ANGELETTI P IST RICHERCHE BIO

  公开号：WO2001032691A1

  公开（公告）日：2001-05-10

  Compounds of formula (I) and pharmaceutically acceptable salts and esters thereof are active as inhibitors of hepatitis C virus NS3 protease. Consequently they are potentially useful in the treatment and prevention of hepatitis C virus infection and related conditions. In formula: (I) represents an aromatic or aliphatic carbocyclic ring and (n) is the total number of carbon atoms in the ring and is form 4 to 8.