(5-bromo-7-chloro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one) | 1226065-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: (5-bromo-7-chloro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one)
• 英文别名: 5-bromo-7-chloro-3-methyl-1,3-benzoxazol-2(3H)-one；5-Bromo-7-chloro-3-methylbenzo[d]oxazol-2(3H)-one；5-bromo-7-chloro-3-methyl-1,3-benzoxazol-2-one
• CAS: 1226065-43-5
• 化学式: C₈H₅BrClNO₂
• 分子量: 262.49
• InChiKey: YSCVJKUDHOGUPX-UHFFFAOYSA-N

物化性质

• 沸点：
  343.7±52.0 °C(Predicted)
• 密度：
  1.807±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-溴-2-氯苯酚 在 硝酸 、 铁粉 、 sodium hydride 、 氯化铵 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.25h， 生成 (5-bromo-7-chloro-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one)
  参考文献：
  名称：

  [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CES COMPOSITIONS

  摘要：

  本文提供了某些化学实体。还提供了包括至少一种化学实体和一种或多种药用载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和疾病的方法，包括向这些患者投与至少一种化学实体的有效量以减轻疾病或疾病症状的方法。这些疾病包括亨廷顿病等神经退行性疾病。还描述了治疗方法，包括单独使用至少一种化学实体或将至少一种化学实体与一种或多种其他治疗剂结合使用的方法。还提供了筛选能够抑制KMO活性的化合物的方法。

  公开号：

  WO2013033085A1

文献信息

• CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS
  申请人：ASTRAZENECA AB

  公开号：US20150210655A1

  公开（公告）日：2015-07-30

  The present disclosure relates to certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamide compounds (including pharmaceutically acceptable salts thereof), that inhibit dipeptidyl peptidase 1 (DPP1) activity, to their utility in treating and/or preventing clinical conditions including respiratory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), to their use in therapy, to pharmaceutical compositions containing them and to processes for preparing such compounds.

  本公开涉及某些（2S）-N-[(1S)-1-氰基-2-苯乙基]-1,4-噁唑烷-2-羧酰胺化合物（包括其药用盐），其抑制二肽基肽酶1（DPP1）活性，用于治疗和/或预防包括哮喘和慢性阻塞性肺病（COPD）在内的临床疾病，以及它们在治疗中的用途，含有它们的药物组合物以及制备这类化合物的方法。
• [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI FOUNDATION INC

  公开号：WO2013151707A1

  公开（公告）日：2013-10-10

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, pharmaceutical compositions comprising the same and methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof described herein, effective to reduce signs or symptoms of the disease or disorder. These diseases include neurodegenerative disorders such as Huntington's disease.

  本文描述了某些化合物，或其药学上可接受的盐或前药、含有这些化合物的药物组合物以及治疗对抑制KMO活性有反应的某些疾病和障碍患者的方法，这些方法包括向此类患者施用至少一种本文所述的化合物，或其药学上可接受的盐或前药的有效量，以减轻疾病或障碍的体征或症状。这些疾病包括亨廷顿病等神经退行性疾病。
• [EN] KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE KYNURÉNINE-3-MONOOXYGÉNASE, COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：CHDI FOUNDATION INC

  公开号：WO2015047978A1

  公开（公告）日：2015-04-02

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease.

  本文提供了某些化合物，或其药用可接受的盐或前药。还提供了包括至少一种在此描述的化合物，或其药用可接受的盐或前药以及一个或多个药用可接受的载体的药物组合物。描述了治疗对KMO活性抑制敏感的某些疾病和紊乱的方法，包括向这些患者施用至少一种在此描述的化合物，或其药用可接受的盐或前药的量，有效减少疾病或紊乱的症状。这些疾病包括亨廷顿病等神经退行性疾病。
• [EN] (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS<br/>[FR] (2S)-N-[(1S)-1-CYANO-2-PHÉNYLÉTHYL]-1,4-OXAZÉPANE-2-CARBOXAMIDES EN TANT QU'INHIBITEURS DE LA DIPEPTIDYL PEPTIDASE I
  申请人：ASTRAZENECA AB

  公开号：WO2015110826A1

  公开（公告）日：2015-07-30

  The present disclosure relates to certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4- oxazepane-2-carboxamide compounds (including pharmaceutically acceptable salts thereof), (Formula (I)) that inhibit dipeptidyl peptidase 1(DPP1) activity, to their utility in treating and/or preventing clinical conditions including respiratory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), to their use in therapy, to pharmaceutical compositions containing them and to processes for preparing such compounds.

  本申请涉及某些(2S)-N-[(1S)-1-氰基-2-苯乙基]-1,4-噁唑烷-2-羧酰胺化合物(包括其药学上可接受的盐)(式(I)),其抑制二肽基肽酶1(DPP1)活性，以及它们在治疗和/或预防包括哮喘和慢性阻塞性肺疾病(COPD)在内的临床疾病方面的效用，它们在治疗中的使用，含有它们的制药组合物以及制备这种化合物的过程。
• KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：CHDI FOUNDATION, INC.

  公开号：US20150057238A1

  公开（公告）日：2015-02-26

  Certain compounds, or pharmaceutically acceptable salts or prodrugs thereof, are provided herein. Also provided are pharmaceutical compositions comprising at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein and one or more pharmaceutically acceptable vehicle. Methods of treating patients suffering from certain diseases and disorders responsive to the inhibition of KMO activity are described, which comprise administering to such patients an amount of at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include neurodegenerative disorders such as Huntington's disease. Also described are methods of treatment include administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein as a single active agent or administering at least one compound, or pharmaceutically acceptable salt or prodrug thereof, described herein in combination with one or more other therapeutic agents. Also provided are methods for screening compounds capable of inhibiting KMO activity.

  本文提供了某些化合物，或其药学上可接受的盐或前药。还提供了包含至少一种化合物或其药学上可接受的盐或前药及一种或多种药学上可接受的载体的制药组合物。本文描述了治疗对KMO活性抑制有反应的某些疾病和障碍的患者的方法，包括向这些患者施用至少一种本文所述的化合物或其药学上可接受的盐或前药的有效量，以减少疾病或障碍的症状。这些疾病包括神经退行性疾病，如亨廷顿病。本文还描述了治疗方法，包括将至少一种本文所述的化合物或其药学上可接受的盐或前药作为单一活性剂施用，或将至少一种本文所述的化合物或其药学上可接受的盐或前药与一种或多种其他治疗剂联合施用。还提供了筛选能够抑制KMO活性的化合物的方法。