2-(3-bromophenyl)-1-carboxyethan-1-aminium chloride | 128834-02-6

• 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: 2-(3-bromophenyl)-1-carboxyethan-1-aminium chloride
• 英文别名: 2-Amino-3-(3-bromophenyl)propanoic acid hydrochloride；2-amino-3-(3-bromophenyl)propanoic acid;hydrochloride
• CAS: 128834-02-6
• 化学式: C₉H₁₀BrNO₂*ClH
• mdl: MFCD22691222
• 分子量: 280.549
• InChiKey: MRWIBMCVLBZBLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.42
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-bromophenyl)-1-carboxyethan-1-aminium chloride 生成 3-bromophenylalanine amide
  参考文献：
  名称：

  BRUNNER, HENRI;HANKOFER, PETER;HOLZINGER, ULRICH;TREITTINGER, BARBARA;SCH+, EUR. J. MED. CHEM., 25,(1990) N, C. 35-44

  摘要：

  DOI：
• 作为产物：
  描述：

  diethyl (acetylamino)<(3-bromophenyl)methyl>propanedioate 在 盐酸 、 水 、 溶剂黄146 作用下， 反应 18.0h， 以82%的产率得到2-(3-bromophenyl)-1-carboxyethan-1-aminium chloride
  参考文献：
  名称：

  Tetrahydroisoquinoline-Based Non-Peptidomimetic Plasmepsin Inhibitors

  摘要：

  A series of tetrahydroisoquinoline derivatives containing different aryl substituents were designed and synthesized using Pictet-Spengler reaction as the key step. The synthesized tetrahydroisoquinoline derivatives displayed micromolar inhibitory activity against plasmepsins I and II.

  DOI：

  10.1007/s10593-020-02623-6

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。
• [EN] HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1)<br/>[FR] COMPOSÉS D'AMINO PYRIDINE HALO-SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE DES PROGÉNITEURS HÉMATOPOÏÉTIQUES 1 (HPK1)
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2022226668A1

  公开（公告）日：2022-11-03

  The present application relates to halo-substituted heterocyclic compounds of Formula (I): or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting HPK1, such as cancer.

  本申请涉及公式（I）的卤代杂环化合物或其药学上可接受的盐、溶剂或前药，以及包含这些化合物或药学上可接受的盐、溶剂或前药的组合物，以及在治疗可通过抑制HPK1来治疗的疾病、紊乱或情况方面的各种用途，例如癌症。
• [EN] HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1)<br/>[FR] COMPOSÉS AMINO AZA-HÉTÉROARYLES À SUBSTITUTION HALO UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE DES PROGÉNITEURS HÉMATOPOÏÉTIQUES 1 (HPK1)
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2022226665A1

  公开（公告）日：2022-11-03

  The present application relates to halo-substituted aza-heteroaryl compounds of Formula (I): (I) or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting HPK1, such as cancer.

  本申请涉及公式（I）的卤代氮杂杂环化合物或其药学上可接受的盐，溶剂化合物和/或前药，以及包含这些化合物或药学上可接受的盐，溶剂化合物和/或前药的组合物，以及在治疗可通过抑制HPK1治疗的疾病，紊乱或状况方面的各种用途，例如癌症。
• GPR35 modulators
  申请人：Prometheus Biosciences, Inc.

  公开号：US11053251B2

  公开（公告）日：2021-07-06

  Described herein are GPR35 modulators and methods of using these compounds in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

  本文描述了 GPR35 调节剂以及使用这些化合物治疗疾病、失调或病症的方法。本文还描述了含有此类化合物的药物组合物。
• 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。