[1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-2-yl]-acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: [1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-2-yl]-acetic acid
• 英文别名: 2-[1-[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]piperidin-2-yl]acetic acid
• 化学式: C₂₉H₃₈N₄O₅
• 分子量: 522.645
• InChiKey: DUAUEUMSYJRBSN-YNMFNDETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-哌啶乙酸乙酯 在 lithium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 48.0h， 生成 [1-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoyl)-piperidin-2-yl]-acetic acid
  参考文献：
  名称：

  Discovery and evaluation of piperidinyl carboxylic acid derivatives as potent α4β1 integrin antagonists

  摘要：

  Piperidinyl carboxylic acid-based derivatives were prepared as antagonists of the leukocyte cell adhesion process that is mediated through the interaction of the alpha (4)beta (1) integrin (VLA-4, very late antigen 4) and the vascular cell adhesion molecule 1 (VCAM-1). Compounds 2a-h inhibited the adhesion in a cell-based assay in the low and sub micromolar range, a pharmacokinetic. study of 2d is reported. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00613-8

文献信息

• TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR
  申请人：Progenity, Inc.

  公开号：US20200323772A1

  公开（公告）日：2020-10-15

  This disclosure features methods and compositions for treating inflammatory disorders or conditions that arise in a tissue originating from the endoderm using an immune modulator.
• [EN] TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR<br/>[FR] TRAITEMENT DE MALADIE INFLAMMATOIRE FAISANT APPEL À UN DISPOSITIF INGÉRABLE POUR LIBÉRER UN IMMUNOMODULATEUR
  申请人：PROGENITY INC

  公开号：WO2019036382A1

  公开（公告）日：2019-02-21

  This disclosure features methods and compositions for treating inflammatory disorders or conditions that arise in a tissue originating from the endoderm using an immune modulator.
• Discovery and evaluation of piperidinyl carboxylic acid derivatives as potent α4β1 integrin antagonists
  作者：G Müller、M Albers、R Fischer、G Heßler、T.E Lehmann、H Okigami、M Tajimi、K Bacon、T Rölle

  DOI：10.1016/s0960-894x(01)00613-8

  日期：2001.12

  Piperidinyl carboxylic acid-based derivatives were prepared as antagonists of the leukocyte cell adhesion process that is mediated through the interaction of the alpha (4)beta (1) integrin (VLA-4, very late antigen 4) and the vascular cell adhesion molecule 1 (VCAM-1). Compounds 2a-h inhibited the adhesion in a cell-based assay in the low and sub micromolar range, a pharmacokinetic. study of 2d is reported. (C) 2001 Elsevier Science Ltd. All rights reserved.