methyl 4-tert-butyl-2-fluorobenzoate | 939819-18-8

• 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: methyl 4-tert-butyl-2-fluorobenzoate
• CAS: 939819-18-8
• 化学式: C₁₂H₁₅FO₂
• 分子量: 210.248
• InChiKey: BTPAJPWDCKPRBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4-tert-butyl-2-fluorobenzoate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以100%的产率得到4-tert-butyl-2-fluorobenzoic acid
  参考文献：
  名称：

  [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE
  [FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON

  摘要：

  公开号：

  WO2016196776A3
• 作为产物：
  描述：

  甲基2-氨基-4-(2-甲基-2-丙基)苯甲酸酯 在 三氟化硼乙醚 、 亚硝酸特丁酯 作用下， 以 乙二醇二甲醚 、 氯苯 为溶剂， 反应 5.5h， 以47%的产率得到methyl 4-tert-butyl-2-fluorobenzoate
  参考文献：
  名称：

  [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE
  [FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON

  摘要：

  公开号：

  WO2016196776A3

文献信息

• 2-AMINOBENZAMIDE DERIVATIVE
  申请人：Kuramochi Takahiro

  公开号：US20090233900A1

  公开（公告）日：2009-09-17

  To provide a novel and excellent agent for treating or preventing nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like, based on the inhibitory action on the capsaicin receptor VR1 activation. The present invention was accomplished by confirming that a benzamide derivative characterized by the possession of a benzene ring in which a single ring is condensed on the nitrogen atom of amido group and possession of a lower alkylamino or an amino group substituted with a ring group at the neighboring position of said amido group has a strong inhibitory action on VR1 activation and excellent pharmacological actions based on this and by finding that it can become an excellent agent for treating or preventing VR1-involved diseases such as nociceptive pain, neuropathic pain, cancer pain, headache, bladder function disorder and the like.

  本发明提供了一种基于对辣椒素受体VR1激活的抑制作用的新型优良药剂，用于治疗或预防伤害性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等疾病。本发明通过确认一种苯甲酰胺衍生物，其特征在于其苯环上的单环在酰胺基氮原子上被紧缩，其低烷基氨基或邻位于酰胺基的环基取代的氨基具有对VR1激活的强抑制作用和优良的药理作用，从而发现它可以成为治疗或预防伤害性疼痛、神经病理性疼痛、癌症疼痛、头痛、膀胱功能障碍等VR1相关疾病的优良药剂。
• 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER
  申请人：Astellas Pharma Inc.

  公开号：EP1955697B1

  公开（公告）日：2012-05-02
• INHIBITORS OF BRUTON'S TYROSINE KINASE
  申请人：Pharmacyclics LLC

  公开号：EP3310776A2

  公开（公告）日：2018-04-25
• INHIBITORS OF BRUTONS TYROSINE KINASE
  申请人：Pharmacyclics LLC

  公开号：US20180305348A1

  公开（公告）日：2018-10-25

  Disclosed herein are reversible and irreversible inhibitors of Bruton's tyrosine kinase (Btk). Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are described, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, and inflammatory diseases or conditions.
• SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：The Johns Hopkins

  公开号：US20200190089A1

  公开（公告）日：2020-06-18

  Small molecule inhibitors of neutral sphingomyelinase 2 (nSMase2) and their use for treating neurodegenerative diseases, such as, neurodegenerative diseases associated with high levels of ceramide, including, but not limited to Alzheimer's disease (AD), HIV-associated neurocognitive disorder (HAND), multiple sclerosis (MS), and amyotrophic lateral sclerosis (ALS), and, in other aspects, for treating cancer, are provided.