4-Bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid | 1529805-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
• 英文别名: 4-bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
• CAS: 1529805-47-7
• 化学式: C₁₂H₁₃BrO₄
• 分子量: 301.137
• InChiKey: ZSULDSBZYZPPSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid 在 三氟乙酸 、 O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 生成 5-bromo-N-(6-methylpyridin-3-yl)phthalamic acid
  参考文献：
  名称：

  The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin

  摘要：

  The identification of the novel, selective, orally bioavailable Sortilin inhibitor AF38469 is described. Structure-activity relationships and syntheses are reported, along with an X-ray crystal structure of the sortilin-AF38469 protein-inhibitor complex.

  DOI：

  10.1016/j.bmcl.2013.11.046
• 作为产物：
  描述：

  4-溴邻苯二甲酸酐 、 叔丁醇 在 2,2-二羟甲基丙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-Bromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
  参考文献：
  名称：

  The identification of AF38469: An orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin

  摘要：

  The identification of the novel, selective, orally bioavailable Sortilin inhibitor AF38469 is described. Structure-activity relationships and syntheses are reported, along with an X-ray crystal structure of the sortilin-AF38469 protein-inhibitor complex.

  DOI：

  10.1016/j.bmcl.2013.11.046

文献信息

• [EN] N-SUBSTITUTED-5-SUBSTITUTED PHTHALAMIC ACIDS AS SORTILIN INHIBITORS<br/>[FR] ACIDES PHTALAMIQUES N-SUBSTITUÉS-5-SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA SORTILINE
  申请人：LUNDBECK & CO AS H

  公开号：WO2014114779A1

  公开（公告）日：2014-07-31

  The present invention is directed to N-substituted-5-substituted phthalamic acids which of formula (A). The compounds are considered useful for the treatment of diseases treatment of a neurodegenerative disease, psychiatric disease, motorneuron disease, peripheral neuropathies, pain, neuroinflammation or atherosclerosis such as Alzheimer's disease and Parkinson's disease.

  本发明涉及公式（A）的N-取代-5-取代邻苯二甲酰胺酸。这些化合物被认为对治疗神经退行性疾病、精神疾病、运动神经元疾病、外周神经病、疼痛、神经炎症或动脉粥样硬化等疾病的治疗有用，如阿尔茨海默病和帕金森病。
• N-SUBSTITUTED-5-SUBSTITUTED PHTHALAMIC ACIDS AS SORTILIN INHIBITORS
  申请人：H. Lundbeck A/S

  公开号：US20150368231A1

  公开（公告）日：2015-12-24

  The present invention is directed to N-substituted-5-substituted phthalamic acids which of formula (A). The compounds are considered useful for the treatment of diseases treatment of a neurodegenerative disease, psychiatric disease, motorneuron disease, peripheral neuropathies, pain, neuroinflammation or atherosclerosis such as Alzheimer's disease and Parkinson's disease.

  本发明涉及式(A)的N-取代-5-取代邻苯二甲酸衍生物。这些化合物被认为对治疗神经退行性疾病、精神疾病、运动神经元疾病、周围神经病、疼痛、神经炎症或动脉粥样硬化疾病如阿尔茨海默病和帕金森病具有用处。
• A SORTILIN ANTAGONIST FOR USE IN THE PREVENTION OR TREATMENT OF HEARING LOSS.
  申请人：Insusense ApS

  公开号：EP3981394A1

  公开（公告）日：2022-04-13

  The present invention relates to the use of sortilin antagonists, in particular compounds of Formula (I), (II), (III), and (IV), in the treatment or prevention of hearing loss. Also provided are pharmaceutical compositions comprising the sortilin antagonists herein disclosed and methods for the treatment or prevention of hearing loss in a subject in need thereof.

  本发明涉及索西林拮抗剂，特别是式(I)、(II)、(III)和(IV)化合物在治疗或预防听力损失中的用途。本发明还提供了包含本发明公开的索替林拮抗剂的药物组合物，以及治疗或预防有需要的受试者听力损失的方法。
• N-substituted-5-substituted phthalamic acids as sortilin inhibitors
  申请人：H. Lundbeck A/S

  公开号：US10195186B2

  公开（公告）日：2019-02-05

  The present invention is directed to N-substituted-5-substituted phthalamic acids which of formula (A). The compounds are considered useful for the treatment of diseases treatment of a neurodegenerative disease, psychiatric disease, motoneuron disease, peripheral neuropathies, pain, neuroinflammation or atherosclerosis such as Alzheimer's disease and Parkinson's disease.

  本发明涉及式（A）的 N-取代-5-取代酞胺酸。 这些化合物可用于治疗神经退行性疾病、精神疾病、运动神经元疾病、周围神经病、疼痛、神经炎症或动脉粥样硬化等疾病，如阿尔茨海默氏症和帕金森氏症。
• N-Substituted-5-Substituted Phthalamic Acids as Sortilin Inhibitors
  申请人：H. Lundbeck A/S

  公开号：US20170239226A1

  公开（公告）日：2017-08-24

  The present invention is directed to N-substituted-5-substituted phthalamic acids which of formula (A). The compounds are considered useful for the treatment of diseases treatment of a neurodegenerative disease, psychiatric disease, motoneuron disease, peripheral neuropathies, pain, neuroinflammation or atherosclerosis such as Alzheimer's disease and Parkinson's disease.