methyl 2-amino-4-bromo-6-fluoro-3-nitrobenzoate | 1160683-38-4

• 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 2-amino-4-bromo-6-fluoro-3-nitrobenzoate
• 英文别名: Methyl 2-amino-4-bromo-6-fluoro-3-nitrobenzoate
• CAS: 1160683-38-4
• 化学式: C₈H₆BrFN₂O₄
• 分子量: 293.049
• InChiKey: QGMRHJXVQJIKHE-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±42.0 °C(Predicted)
• 密度：
  1.810±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 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：
  98.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-amino-4-bromo-6-fluoro-3-nitrobenzoate 在 palladium on activated charcoal 氢气 、 sodium methylate 、 三溴化硼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 8-bromo-6-hydroxy-5-quinoxalinecarboxylic acid
  参考文献：
  名称：

  Prolyl Hydroxylase Inhibitors

  摘要：

  本发明涉及某些式（I）的喹喔啉-5-羧酰胺衍生物，这些衍生物是HIF脯氨酸羟化酶的拮抗剂，可用于治疗受益于抑制该酶的疾病，贫血是一个例子。

  公开号：

  US20100305133A1
• 作为产物：
  描述：

  4-溴-2,6-二氟苯甲酸 在 ammonium hydroxide 、 硫酸 、 硝酸 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 水 为溶剂， 生成 methyl 2-amino-4-bromo-6-fluoro-3-nitrobenzoate
  参考文献：
  名称：

  Prolyl Hydroxylase Inhibitors

  摘要：

  本发明涉及某些式（I）的喹喔啉-5-羧酰胺衍生物，这些衍生物是HIF脯氨酸羟化酶的拮抗剂，可用于治疗受益于抑制该酶的疾病，贫血是一个例子。

  公开号：

  US20100305133A1

文献信息

• Condensed derivatives of imidazole useful as pharmaceuticals
  申请人：LABORATOIRE BIODIM

  公开号：EP2913330A1

  公开（公告）日：2015-09-02

  The invention relates to the compounds (I) and their acids and bases salts: wherein: the dotted line indicates a double bond; X is N or C-R1 and Y is N or C-R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is Hydrogen or a substituent as defined in the application, or B is a (4-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, and possibly substituted as defined in the application; B not being Hydrogen when X is N and Y is C-R2; R1 is Hydrogen or a substituent as defined in the application; B and R1 cannot be simultaneously Hydrogen; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  该发明涉及化合物（I）及其酸盐和碱盐： 其中： 虚线表示双键； X为N或C-R1，Y为N或C-R2，X和Y不同时为N； A选自苯基、萘基和（5-11）成员单环或双环不饱和环或杂环，可能按申请中定义进行取代， A还可以包括另一个（4-7）成员杂环，该杂环为单环、融合、饱和或不饱和，多环系统则包括最多14个成员和最多5个N、O和S中选择的杂原子； B为氢或按申请中定义的取代基，或 B为含有1-3个N、O和S中选择的杂原子的（4-10）成员单环或双环饱和或不饱和杂环，并可能按申请中定义进行取代； 当X为N且Y为C-R2时，B不是氢； R1为氢或按申请中定义的取代基； B和R1不能同时为氢； R2为氢或卤素； 它们的制备，它们在抗菌预防和治疗中的用途，单独或与抗菌药物、抗毒力剂或增强宿主先天免疫力的药物联合使用，以及含有它们的药物组合物和联合物。
• [EN] 6-5 FUSED RINGS AS C5a INHIBITORS<br/>[FR] CYCLES 6-5 FUSIONNÉS UTILISÉS EN TANT QU'INHIBITEURS DE C5A
  申请人：CHEMOCENTRYX INC

  公开号：WO2018222598A1

  公开（公告）日：2018-12-06

  The present disclosure provides, inter alia, Compounds of Formula (I) (I) or pharmaceutically acceptable salts thereof that are modulators of the C5a receptor. Also provided are pharmaceutical compositions and methods of use including the treatment of diseases or disorders involving pathologic activation from C5a and non-pharmaceutical applications.

  本公开提供了化合物的公式(I) (I)或其药学上可接受的盐，这些化合物是C5a受体的调节剂。还提供了包括治疗涉及C5a病理性激活的疾病或紊乱的药物组合物和使用方法，以及非药物应用。
• [EN] HETEROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2016199943A1

  公开（公告）日：2016-12-15

  The present invention provides a compound represented by the formula (I) wherein each symbol is as defined in the specification, or a salt thereof has an BET family protein inhibitory action, and is useful as an agent for the prophylaxis or treatment of autoimmune diseases and/or inflammatory diseases (e.g., rheumatoid arthritis, multiple sclerosis, idiopathic pulmonary fibrosis, psoriasis, atopic dermatitis, inflammatory bowel disease, Sjogren's syndrome, Behcet's disease, systemic lupus erythematosus etc.), cancer and the like.

  本发明提供了一种化合物，其由式(I)表示，其中每个符号如规范中定义，或其盐具有BET家族蛋白抑制作用，并且可用作自身免疫疾病和/或炎症性疾病（例如类风湿关节炎、多发性硬化、特发性肺纤维化、牛皮癣、特应性皮炎、炎症性肠病、干燥综合征、贝赫切特病、系统性红斑狼疮等）、癌症等的预防或治疗剂。
• Heteroaromatic derivatives and their use as pharmaceuticals
  申请人：MUTABILIS

  公开号：US10301305B2

  公开（公告）日：2019-05-28

  The invention relates to the compounds (I) and their acids and bases salts: wherein: Formula (I) the dotted line indicates a double bond; X is N or C—R1 and Y is N or C—R2, X and Y not being simultaneously N; A is selected from the group consisting of phenyl, naphthyl and (5-11) membered monocyclic or bicyclic unsaturated cycle or heterocycle possibly substituted as defined in the application, and A can also comprise either a further (4-7) membered heterocycle, said heterocycle being a monocycle, fused, saturated or unsaturated, the polycyclic system then comprising up to 14 members and up to 5 heteroatoms selected from N, O and S; B is selected from the group of substituents as defined in the application, or B is a 4 or (6-10) membered mono or bicyclic saturated or unsaturated heterocycle containing 1-3 heteroatoms selected from N, O and S, linked by a carbon atom, and possibly substituted as defined in the application; R1 is Hydrogen or a substituent as defined in the application; R2 is Hydrogen or Halogen; their preparation, their use in the antibacterial prevention and therapy, alone or in association with antibacterials, antivirulence agents or drugs reinforcing the host innate immunity, and pharmaceutical compositions and associations containing them.

  本发明涉及化合物（I）及其酸盐和碱盐： 其中：式（Ⅰ）中虚线表示双键；X 为 N 或 C-R1，Y 为 N 或 C-R2，X 和 Y 不能同时为 N；A 选自苯基、萘基和(5-11)个成员的单环或双环不饱和环或杂环组成的组，这些环或杂环可能如本申请中所定义的那样被取代，A 还可以包括另一个(4-7)个成员的杂环，所述杂环是单环、融合的、饱和的或不饱和的，多环体系最多包括 14 个成员和最多 5 个选自 N、O 和 S 的杂原子；B 选自本申请中所定义的取代基组，或者 B 是 4 或（6-10）个成员的单环或双环饱和或不饱和杂环，含有 1-3 个选自 N、O 和 S 的杂原子，由一个碳原子连接，并可能被本申请中所定义的取代；R1 是氢或本申请中所定义的取代基；R2 是氢或卤素；它们的制备方法，它们在抗菌预防和治疗中的用途（单独使用或与抗菌剂、抗病毒剂或增强宿主先天免疫力的药物联合使用），以及含有它们的药物组合物和组合物。
• 6-5 fused rings as C5a inhibitors
  申请人：CHEMOCENTRYX, INC.

  公开号：US10562896B2

  公开（公告）日：2020-02-18

  The present disclosure provides, inter alia, Compounds of Formula (I) or pharmaceutically acceptable salts thereof that are modulators of the C5a receptor. Also provided are pharmaceutical compositions and methods of use including the treatment of diseases or disorders involving pathologic activation from C5a and non-pharmaceutical applications.

  本公开特别提供了式 (I) 化合物 或其药学上可接受的盐，它们是 C5a 受体的调节剂。此外，还提供了药物组合物和使用方法，包括治疗涉及 C5a 病理激活的疾病或失调以及非药物应用。