methyl 6-bromo-2,3-difluorobenzoate | 364727-87-7

• 物质功能分类: 医药中间体 - 原料药中间体
• 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 6-bromo-2,3-difluorobenzoate
• CAS: 364727-87-7
• 化学式: C₈H₅BrF₂O₂
• 分子量: 251.027
• InChiKey: KKCARDZOSATPBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  methyl 6-bromo-2,3-difluorobenzoate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 potassium acetate 、 potassium carbonate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 42.0h， 生成 2,3-difluoro-6-(pyrimidin-2-yl)benzoic acid
  参考文献：
  名称：

  [EN] DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS
  [FR] DIFLUOROPYRROLIDINES EN TANT QUE MODULATEURS DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本申请涉及某些二氟吡咯烷化合物，含有它们的药物组合物，以及使用它们的方法，包括用于治疗物质成瘾、惊恐障碍、焦虑、创伤后应激障碍、疼痛、抑郁症、季节性情感障碍、进食障碍或高血压的方法。

  公开号：

  WO2016025669A1
• 作为产物：
  描述：

  甲醇 、 2,3-二氟-6-溴苯甲酸 在 硫酸 作用下， 反应 18.0h， 生成 methyl 6-bromo-2,3-difluorobenzoate
  参考文献：
  名称：

  [EN] DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS
  [FR] DIFLUOROPYRROLIDINES EN TANT QUE MODULATEURS DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本申请涉及某些二氟吡咯烷化合物，含有它们的药物组合物，以及使用它们的方法，包括用于治疗物质成瘾、惊恐障碍、焦虑、创伤后应激障碍、疼痛、抑郁症、季节性情感障碍、进食障碍或高血压的方法。

  公开号：

  WO2016025669A1

文献信息

• Condensed pyrazole derivatives, process for producing the same and use thereof
  申请人：——

  公开号：US20030187014A1

  公开（公告）日：2003-10-02

  Novel pharmaceutical compositions for inhibiting Th2-selective immune response and pharmaceutical compositions for inhibiting cyclooxygenase comprising condensed pyrazole derivatives represented by the general formula (I): 1 or salts thereof.

  用于抑制Th2选择性免疫应答的新型药物组合物和包括由一般式(I)表示的紧缩吡唑烷衍生物的药物组合物，或其盐。
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINE DU RÉCEPTEUR DES ANDROGÈNES
  申请人：ARVINAS OPERATIONS INC

  公开号：WO2022087125A1

  公开（公告）日：2022-04-28

  Bifunctional compounds, which find utility as modulators of androgen receptor (AR), are described herein. In particular, the bifunctional compounds of the present disclosure contain on one end a moiety that binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds AR, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The bifunctional compounds of the present disclosure exhibit a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aberrant regulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本文描述了具有雄激素受体（AR）调节剂作用的双功能化合物。特别是，本公开的双功能化合物在一端含有结合到cereblon E3泛素连接酶的基团，在另一端含有结合到AR的基团，使得目标蛋白质靠近泛素连接酶以降解（和抑制）目标蛋白质。本公开的双功能化合物表现出与目标蛋白质降解/抑制相关的广泛的药理活性。使用本公开的化合物和组合物治疗或预防由于目标蛋白质异常调节而导致的疾病或障碍。
• SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Eolas Therapeutics, Inc.

  公开号：US20140364433A1

  公开（公告）日：2014-12-11

  The present invention is directed to compounds that modulate the bioactivity of an orexin receptor such as OX 1 or OX 2 , or both; to pharmaceutical compositions and combinations comprising a compound of the invention; to methods of treatment of malconditions in patients wherein modulation of an orexin receptor is medically indicated; and to methods of preparation of compounds of the invention. For example, orexin receptor-modulatory compounds of the present invention can be used in treatment of an eating disorder, obesity, alcoholism or an alcohol-related disorder, drug abuse or addiction including addiction to cocaine, opiates, amphetamines, or nicotine, a sleep disorder, a cognitive dysfunction in a psychiatric or neurologic disorder, depression, anxiety, panic disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, headache, migraine, pain, gastrointestinal diseases, epilepsy, inflammations, immune-related diseases, endocrine-related diseases, cancer, hypertension, behavior disorder, mood disorder, manic depression, dementia, sex disorder, psychosexual disorder, or renal disease.

  本发明涉及调节促觉醒素受体（如OX1或OX2，或两者）生物活性的化合物；涉及包含本发明化合物的制药组合物；涉及在医学上调节促觉醒素受体治疗患者疾病的方法；以及涉及制备本发明化合物的方法。例如，本发明的促觉醒素受体调节化合物可用于治疗进食障碍、肥胖症、酗酒或与酒精有关的疾病、药物滥用或成瘾，包括可卡因、鸦片类药物、安非他命或尼古丁成瘾，睡眠障碍、精神或神经障碍中的认知功能障碍、抑郁症、焦虑症、惊恐障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、头痛、偏头痛、疼痛、肠胃疾病、癫痫、炎症、免疫相关疾病、内分泌相关疾病、癌症、高血压、行为障碍、情绪障碍、躁郁症、痴呆症、性功能障碍、心理性性功能障碍或肾脏疾病的治疗。
• Substituted prolines/piperidines as orexin receptor antagonists
  申请人：Eolas Therapeutics, Inc.

  公开号：US09440982B2

  公开（公告）日：2016-09-13

  The present invention is directed to compounds that modulate the bioactivity of an orexin receptor such as OX1 or OX2, or both; to pharmaceutical compositions and combinations comprising a compound of the invention; to methods of treatment of malconditions in patients wherein modulation of an orexin receptor is medically indicated; and to methods of preparation of compounds of the invention. For example, orexin receptor-modulatory compounds of the present invention can be used in treatment of an eating disorder, obesity, alcoholism or an alcohol-related disorder, drug abuse or addiction including addiction to cocaine, opiates, amphetamines, or nicotine, a sleep disorder, a cognitive dysfunction in a psychiatric or neurologic disorder, depression, anxiety, panic disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, headache, migraine, pain, gastrointestinal diseases, epilepsy, inflammations, immune-related diseases, endocrine-related diseases, cancer, hypertension, behavior disorder, mood disorder, manic depression, dementia, sex disorder, psychosexual disorder, or renal disease.

  本发明涉及调节促觉醒肽受体（如OX1或OX2，或两者）生物活性的化合物；包含本发明化合物的药物组合物；在需要医学上调节促觉醒肽受体的疾病患者中治疗的方法；以及本发明化合物的制备方法。例如，本发明的促觉醒肽受体调节化合物可用于治疗进食障碍、肥胖症、酗酒或与酒精相关的障碍、药物滥用或成瘾（包括可卡因、鸦片类药物、安非他命或尼古丁成瘾）、睡眠障碍、精神或神经障碍中的认知功能障碍、抑郁症、焦虑症、惊恐症、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、头痛、偏头痛、疼痛、胃肠疾病、癫痫、炎症、免疫相关疾病、内分泌相关疾病、癌症、高血压、行为障碍、情感障碍、躁郁症、痴呆症、性障碍、心理性性障碍或肾脏疾病的治疗。
• CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP1270572A1

  公开（公告）日：2003-01-02

  Novel pharmaceutical compositions for inhibiting Th2-selective immune response and pharmaceutical compositions for inhibiting cyclooxygenase comprising condensed pyrazole derivatives represented by the general formula (I): or salts thereof.

  用于抑制 Th2 选择性免疫反应的新型药物组合物和用于抑制环氧化酶的药物组合物，包含由通式（I）代表的缩合吡唑衍生物： 或其盐类。