3-amino-4-isopropylbenzoic acid | 859174-95-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-amino-4-isopropylbenzoic acid
• 英文别名: 3-amino-4-i-propylbenzoic acid；3-amino-4-isopropyl-benzoic acid；3-Amino-4-isopropyl-benzoesaeure；3-Amino-cuminsaeure；3-amino-4-propan-2-ylbenzoic acid
• CAS: 859174-95-1
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: LXMRKRTZVOWIDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  347.4±35.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  3-amino-4-isopropylbenzoic acid 以 吡啶 为溶剂， 生成 3-n-heptanamido-4-i-propylbenzoic acid
  参考文献：
  名称：

  Aromatic compound and pharmaceutical composition

  摘要：

  一种化学式为(I)的芳香化合物：##STR1## 具体来说，例如3-\x9b\x9b(4-羧基苯基)甲基!瓦拉米多!-4-二甲氨基苯甲酸4'-甲基哌嗪，或其盐，以及包含所述芳香化合物或其药用可接受盐的药物组合物，以及在低血浓度下提供足够有效缓解肾功能障碍而不影响血压的药用可接受载体或稀释剂。

  公开号：

  US05863913A1
• 作为产物：
  描述：

  4-异丙基苯甲酸 在 ammonium sulfide 、 硝酸 作用下， 生成 3-amino-4-isopropylbenzoic acid
  参考文献：
  名称：

  Fileti, Gazzetta Chimica Italiana, 1881, vol. 11, p. 15

  摘要：

  DOI：

文献信息

• METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY
  申请人：VOHRA Rahul

  公开号：US20090082368A1

  公开（公告）日：2009-03-26

  Disclosed are compositions which modulate the interaction with nerve growth factor and precursors thereof with neurotrophic receptors. Also disclosed are methods of using the compositions of the invention, including methods of administration.

  揭示了一种调节神经生长因子及其前体与神经营养受体相互作用的组合物。还揭示了使用该发明的组合物的方法，包括给药方法。
• Substituted benzamides with activity towards EP4 receptors
  申请人：Almirall, S.A.

  公开号：EP2765128A1

  公开（公告）日：2014-08-13

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  这项发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，以及它们作为药物用于治疗和/或预防由EP4受体介导的疾病或紊乱，以及包含它们的药物组合物。
• [EN] SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS<br/>[FR] BENZAMIDES SUBSTITUÉS MANIFESTANT UNE ACTIVITÉ VIS-À-VIS DES RÉCEPTEURS EP4
  申请人：DRACONIS PHARMA S L

  公开号：WO2014122267A1

  公开（公告）日：2014-08-14

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP4受体介导的疾病或紊乱的药物使用，以及包含它们的药物组合物。
• SUBSTITUTED BENZAMIDES WITH ACTIVITY TOWARDS EP4 RECEPTORS
  申请人：DRACONIS PHARMA, S.L.

  公开号：US20150376129A1

  公开（公告）日：2015-12-31

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP4受体配体领域。更具体地说，它涉及具有对EP4受体具有高亲和力和选择性的一般式(I)化合物。本发明还涉及它们的制备过程，以及它们作为治疗和/或预防EP4受体介导的疾病或疾病的药物的使用，以及包含它们的制药组合物。
• Benzene derivatives and pharmaceutical composition
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP0685470A2

  公开（公告）日：1995-12-06

  A benzene derivative of the formula (I) : wherein R1 is hydrogen, C1-6-alkyl, C1-6-haloalkyl, -NH2, -NHR21 ; R2 is hydroxyl, -OR22, three- to seven-membered saturated cycloaliphatic amino optionally interrupted by one or more nitrogen, oxygen or sulfur atoms, -NHR23, -N(R24)2, -NH2; R4 is hydrogen, C1-6-alkyl, or -C(=O)R25; R7 is -CO-, -SO2-; R8 is -CO-, single bond; R12 is R11-R5; R11 is -N(R5)-, -NH-, -O-, -N(R26)-, -N(C(=O)R27)-, -N(C(=O)NH2)-, -N(C(=O)NHR28)-; R13 is hydrogen, C1-6-alkyl, C1-6-haloalkyl, -NHC(=O)(CH2)mC6H5, -NHC(=O)R29, -NHC(=O)CH(C6H5)2, -NH2, -NHR30, -(CH2)nC6H5; Z is C, CH, N ; A is CH, N ; R5 is hydrogen, -CH2C6H4COOH, -CH2C6H4COOR31, -CH2C6H40H, -CH2C6H40R32, -CH2C6H4NH2, -CH2C6H4N(R33)2, -CH2C6H4-azole, -CH2C6H4NHR34, -CH2C6H4C6H4R14 ; R14 is azole, -COOH ; R21 to R34 are independently C1-6-alkyl or C1-6-haloalkyl ; m is 0 to 6 ; n is 0 to 6 ; t is 0 or 1, with the proviso that when Z is N, R5 is hydrogen, -CH2C6H4COOH, -CH2C6H4COOR31, -CH2C6H40H, -CH2C6H4OR32, -CH2C6H4NH2, -CH2C6H4N(R33)2, -CH2C6H4-azole, or -CH2C6H4NHR34, or a salt thereof, and a pharmaceutical composition comprising said benzene derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier are disclosed.

  式（I）的苯衍生物： 其中 R1 是氢、C1-6-烷基、C1-6-卤代烷基、-NH2、-NHR21；R2 是羟基、-OR22、任选被一个或多个氮原子、氧原子或硫原子间断的三至七元饱和环脂族氨基、-NHR23、-N(R24)2、-NH2；R4 是氢、C1-6-烷基或-C(＝O)R25；R7 是-CO-、-SO2-；R8 是-CO-、单键；R12 是 R11-R5；R11 是-N(R5)-、-NH-、-O-、-N(R26)-、-N(C(=O)R27)-、-N(C(=O)NH2)-、-N(C(=O)NHR28)-；R13 是氢、C1-6-烷基、C1-6-卤代烷基、-NHC(=O)(CH2)mC6H5、-NHC(=O)R29、-NHC(=O)CH(C6H5)2、-NH2、-NHR30、-(CH2)nC6H5；Z 是 C、CH、N；A 是 CH、N；R5 是氢、-CH2C6H4COOH、-CH2C6H4COOR31、-CH2C6H40H、-CH2C6H40R32、-CH2C6H4NH2、-CH2C6H4N(R33)2、-CH2C6H4-唑、-CH2C6H4NHR34、-CH2C6H4C6H4R14；R14 是唑、-COOH；R21 至 R34 独立地是 C1-6 烷基或 C1-6 卤烷基；m 是 0 至 6；n 是 0 至 6；t 为 0 或 1，但当 Z 为 N 时，R5 为氢、-CH2C6H4COOH、-CH2C6H4COOR31、-CH2C6H40H、-CH2C6H4OR32、-CH2C6H4NH2、-CH2C6H4N(R33)2、-CH2C6H4-唑或-CH2C6H4NHR34、或其盐，以及包含所述苯衍生物或其药学上可接受的盐和药学上可接受的载体的药物组合物。