2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid | 659736-95-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid
• 英文别名: 2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
• CAS: 659736-95-5
• 化学式: C₁₁H₁₂BrNO₂
• 分子量: 270.126
• InChiKey: KUEQITHPTZKVLM-UHFFFAOYSA-N

物化性质

• 沸点：
  415.1±45.0 °C(Predicted)
• 密度：
  1.582±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-芴甲基-N-琥珀酰亚胺基碳酸酯 、 2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid 在 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Structure–Activity relationship of linear peptide Bu-His-DPhe-Arg-Trp-Gly-NH2 at the human melanocortin-1 and -4 receptors: histidine substitution

  摘要：

  Systematic substitution of His(6) residue using non-selective hMC4R pentapeptide agonist (Bu-His(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)- NH2) as the template led to the identification of Bu-Atc(6)(2-aminotetraline-2-carboxylic acid)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 which showed moderate selectivity towards hMC4R over hMC1R. Further SAR studies resulted in the discovery of Penta-5-BrAtc(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 and Penta-5-Me(2)NMAtc(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 which are potent hMC4R agonists and are inactive in hMC1R, hMC3R and hMC5R agonist assays. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00830-2
• 作为产物：
  描述：

  7-溴-3,4-二氢-1H-2-萘酮 在 barium dihydroxide 、 水 作用下， 以 乙醇 为溶剂， 生成 2-Amino-7-bromo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid
  参考文献：
  名称：

  Structure–Activity relationship of linear peptide Bu-His-DPhe-Arg-Trp-Gly-NH2 at the human melanocortin-1 and -4 receptors: histidine substitution

  摘要：

  Systematic substitution of His(6) residue using non-selective hMC4R pentapeptide agonist (Bu-His(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)- NH2) as the template led to the identification of Bu-Atc(6)(2-aminotetraline-2-carboxylic acid)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 which showed moderate selectivity towards hMC4R over hMC1R. Further SAR studies resulted in the discovery of Penta-5-BrAtc(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 and Penta-5-Me(2)NMAtc(6)-DPhe(7)-Arg(8)-Trp(9)-Gly(10)-NH2 which are potent hMC4R agonists and are inactive in hMC1R, hMC3R and hMC5R agonist assays. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00830-2

文献信息

• HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF
  申请人：BEIJING FORELAND BIOPHARMA CO., LTD.

  公开号：US20150094337A1

  公开（公告）日：2015-04-02

  The present invention provides a heterocyclic group contained amino-methanol derivative, and salt, a preparation method and use thereof, and belongs to the medical field. The heterocyclic group contained amino-methanol derivative and the salt thereof of the present invention are used for preparing medicines for immune suppression and for the treatment of organ transplant rejection, or medicines for treating immune mediated inflammatory diseases, such as multiple sclerosis, systemic lupus erythematosus and rheumatoid arthritis.

  本发明提供了一种含有杂环基团的氨甲醇衍生物及其盐、制备方法和用途，属于医药领域。本发明的含有杂环基团的氨甲醇衍生物及其盐用于制备用于免疫抑制和器官移植排斥治疗的药物，或用于治疗免疫介导的炎症性疾病的药物，如多发性硬化症、系统性红斑狼疮和类风湿关节炎。
• US9315492B2
  申请人：——

  公开号：US9315492B2

  公开（公告）日：2016-04-19
• WO2022270143A1
  申请人：——

  公开号：WO2022270143A1

  公开（公告）日：2022-12-29