3,4-二氨基苯甲酸苄酯 | 616224-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二氨基苯甲酸苄酯
• 英文名称: 3,4-Diaminobenzoic acid benzyl ester
• 英文别名: Benzyl 3,4-diaminobenzoate
• CAS: 616224-19-2
• 化学式: C₁₄H₁₄N₂O₂
• 分子量: 242.277
• InChiKey: DUYJXDQRAJMJEH-UHFFFAOYSA-N

物化性质

• 沸点：
  478.7±30.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-二氨基苯甲酸苄酯 、 N,N'-bis-Boc-S-methyl-isothiourea 以 乙醇 为溶剂， 生成 benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazole-5-carboxylate
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3
• 作为产物：
  描述：

  4-氨基-3-硝基苯甲酸苄酯 在 sodium dithionite 作用下， 以 乙醇 为溶剂， 生成 3,4-二氨基苯甲酸苄酯
  参考文献：
  名称：

  [EN] CC-1065 ANALOGS AND THEIR CONJUGATES
  [FR] NOUVEAUX ANALOGUES DE CC-1065 ET LEURS CONJUGUÉS

  摘要：

  公开号：

  WO2010062171A3

文献信息

• Piperidine derivatives having ccr3 antagonism
  申请人：Matsumoto Yoshiyuki

  公开号：US20070032525A1

  公开（公告）日：2007-02-08

  The invention provides low molecular compounds having activity which inhibits binding of CCR3 ligands to CCR3 on target cells, i.e. CCR3 antagonists. The invention also provides compounds represented by formula (I) below, pharmaceutically acceptable acid adducts thereof, or pharmaceutically acceptable C 1 -C 6 alkyl adducts thereof, as well as pharmaceutical compositions comprising them as effective ingredients, which are useful for treatment or prevention of diseases associated with CCR3, such as asthma and allergic rhinitis.

  本发明提供了具有抑制CCR3配体结合到靶细胞CCR3的活性的低分子化合物，即CCR3拮抗剂。本发明还提供了由下式（I）表示的化合物，其药学上可接受的酸加合物或药学上可接受的C1-C6烷基加合物，以及包含它们作为有效成分的制药组合物，用于治疗或预防与CCR3相关的疾病，例如哮喘和过敏性鼻炎。
• PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM
  申请人：TEIJIN LIMITED

  公开号：EP1502916A1

  公开（公告）日：2005-02-02

  The invention provides low molecular compounds having activity which inhibits binding of CCR3 ligands to CCR3 on target cells, i.e. CCR3 antagonists. The invention also provides compounds represented by formula (I) below, pharmaceutically acceptable acid adducts thereof, or pharmaceutically acceptable C1-C6 alkyl adducts thereof, as well as pharmaceutical compositions comprising them as effective ingredients, which are useful for treatment or prevention of diseases associated with CCR3, such as asthma and allergic rhinitis.

  本发明提供了具有抑制 CCR3 配体与靶细胞上 CCR3 结合活性的低分子化合物，即 CCR3 拮抗剂。本发明还提供了下式(I)代表的化合物、其药学上可接受的酸加合物或其药学上可接受的C1-C6烷基加合物，以及包含它们作为有效成分的药物组合物，这些化合物可用于治疗或预防与CCR3相关的疾病，如哮喘和过敏性鼻炎。
• Novel cc-1065 Analogs and Their Conjugates
  申请人：Beusker Patrick Henry

  公开号：US20110207767A1

  公开（公告）日：2011-08-25

  This invention relates to novel analogs of the DNA-alkylating agent CC-1065 and to their conjugates. Furthermore this invention concerns intermediates for the preparation of said agents and conjugates. The conjugates are designed to release their (multiple) payload after one or more activation steps and/or at a rate and time span controlled by the conjugate in order to selectively deliver and/or controllably release one or more of said DNA alkylating agents. The agents, conjugates, and intermediates can be used to treat an illness that is characterized by undesired (cell) proliferation. As an example, the agents and the conjugates of this invention may be used to treat a tumor.
• US7517875B2
  申请人：——

  公开号：US7517875B2

  公开（公告）日：2009-04-14
• US9815784B2
  申请人：——

  公开号：US9815784B2

  公开（公告）日：2017-11-14