3-(3-吡啶基)丙氨酸盐酸盐 | 856570-92-8

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 丙氨酸类衍生物
• 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
• 中文名称: 3-(3-吡啶基)丙氨酸盐酸盐
• 英文名称: 2-amino-3-pyridin-3-ylpropionic acid hydrochloride
• 英文别名: 2-Amino-3-(pyridin-3-yl)propanoic acid hydrochloride；2-amino-3-pyridin-3-ylpropanoic acid;hydrochloride
• CAS: 856570-92-8
• 化学式: C₈H₁₀N₂O₂*ClH
• 分子量: 202.641
• InChiKey: IQBSJGFLBITOPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.2
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-(3-吡啶基)丙氨酸盐酸盐 在 盐酸 、 五氯化磷 、 三乙胺 、 乙酰氯 作用下， 以 乙酸乙酯 为溶剂， 反应 9.0h， 生成 2-{2-[(1H-indole-2-carbonyl)amino]benzoylamino}-3-pyridin-3-ylpropionic acid ethyl ester
  参考文献：
  名称：

  Anthranilic acid based CCK1 receptor antagonists: preliminary investigation on their second “touch point”

  摘要：

  In this phase of structure-affinity relationship study of VL-0395, a new anthranilic acid based CCK1 selective antagonist, we propose a series Of Unnatural aminoacidic derivatives. The result of this work is the identification of a new CCK ligand, which possesses an affinity (IC50 = 35 nm) one order of magnitude greater than the lead and, as a general rule, it points out how the hypothesized receptorial pocket which accommodates the Phe residue allows much more structural modification than that interacting with the N-terminal group. Hence, the modification of the C-terminal pharmacophoric group of our lead VL-0395 can not only enhance the affinity of anthranific acid derivatives but can modulate the selectivity for one CCK receptor subtype or afford mixed antagonists. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.002
• 作为产物：
  描述：

  2-acetylamino-2-pyridin-3-ylmethylmalonic acid diethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以97%的产率得到3-(3-吡啶基)丙氨酸盐酸盐
  参考文献：
  名称：

  Anthranilic acid based CCK1 receptor antagonists: preliminary investigation on their second “touch point”

  摘要：

  In this phase of structure-affinity relationship study of VL-0395, a new anthranilic acid based CCK1 selective antagonist, we propose a series Of Unnatural aminoacidic derivatives. The result of this work is the identification of a new CCK ligand, which possesses an affinity (IC50 = 35 nm) one order of magnitude greater than the lead and, as a general rule, it points out how the hypothesized receptorial pocket which accommodates the Phe residue allows much more structural modification than that interacting with the N-terminal group. Hence, the modification of the C-terminal pharmacophoric group of our lead VL-0395 can not only enhance the affinity of anthranific acid derivatives but can modulate the selectivity for one CCK receptor subtype or afford mixed antagonists. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.002

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES
  申请人：NODTHERA LTD

  公开号：WO2018167468A1

  公开（公告）日：2018-09-20

  The present disclosure relates to compounds of Formula (I): and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein inhibit the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inter alia autoinflammatory and autoimmune diseases and cancers.

  本公开涉及式(I)的化合物及其药用可接受的盐、药物组合物、使用方法和制备方法。本文披露的化合物通过抑制炎症小体来抑制IL-1家族细胞因子的成熟，可用于治疗涉及炎症小体活性的疾病，如自身炎症和自身免疫疾病以及癌症等。
• Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis
  申请人：——

  公开号：US20030229024A1

  公开（公告）日：2003-12-11

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制&bgr;-淀粉样肽释放和/或合成的化合物，因此具有治疗阿尔茨海默病的用途。还公开了药物组合物，包括抑制&bgr;-淀粉样肽释放和/或合成的化合物，以及使用这样的药物组合物进行预防和治疗阿尔茨海默病的方法。
• Urea derivatives and methods of use thereof
  申请人：NodThera Limited

  公开号：US11345669B2

  公开（公告）日：2022-05-31

  The present disclosure relates to compounds of Formula (I): and to their pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein inhibit the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inter alia autoinflammatory and autoimmune diseases and cancers.

  本公开涉及式（I）化合物：及其药学上可接受的盐、药物组合物、使用方法和制备方法。本文公开的化合物通过抑制炎性体，抑制 IL-1 家族细胞因子的成熟，可用于治疗与炎性体活性有关的疾病，如自身炎症、自身免疫性疾病和癌症等。
• METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP0942924A2

  公开（公告）日：1999-09-22
• CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS
  申请人：Du Pont Pharmaceuticals Company

  公开号：EP1091945A1

  公开（公告）日：2001-04-18