2-(6-methyl-3-pyridyloxy)acetic acid hydrobromide | 431897-03-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(6-methyl-3-pyridyloxy)acetic acid hydrobromide
• 英文别名: 2-(6-Methylpyridin-3-yl)oxyacetic acid;hydrobromide
• CAS: 431897-03-9
• 化学式: BrH*C₈H₉NO₃
• 分子量: 248.076
• InChiKey: KQFNGUIYAAXYKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.43
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 、 溴乙酸叔丁酯 在 氢溴酸 作用下， 以 N-甲基乙酰胺 、 溶剂黄146 、 mineral oil 为溶剂， 生成 2-(6-methyl-3-pyridyloxy)acetic acid hydrobromide
  参考文献：
  名称：

  HIV protease inhibitors

  摘要：

  本发明公开了新型异喹啉羧酰胺衍生物，其为HIV蛋白酶抑制剂或其前药，以及其制备方法、药物组合物和在医学中使用这些化合物的用途。具体而言，这些化合物是羟乙基胺三肽类似物，可作为HIV天冬氨酸蛋白酶的抑制剂，该酶是HIV复制生命周期中不可或缺的酶。因此，本发明的化合物可以有益地用于治疗HIV感染，可以单独使用，也可以与其他HIV病毒复制抑制剂或细胞色素P450抑制剂等药物增强剂联合使用。

  公开号：

  US06472404B1

文献信息

• NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP1339692A1

  公开（公告）日：2003-09-03
• US6472404B1
  申请人：——

  公开号：US6472404B1

  公开（公告）日：2002-10-29
• [EN] NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSANTS SERVANT D'INHIBITEURS DE PROTEASE VIH
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002042277A1

  公开（公告）日：2002-05-30

  Disclosed are compounds of general formula (I) and pharmaceutically acceptable salts thereof wherein R1 is H, hydroxy or NHR2 wherein R2 is H, alkyl, alkenyl, alkynyl, arylalkyl, heterocyclyalkyl, cycloalkyl, alkyl carbonyl, cycloalkyl carbonyl, aryl carbonyl, heterocyclyl carbonyl, aryl alkyl carbonyl, heterocyclyl alkyl carbonyl, alkyl oxy carbonyl, aryl alkyl oxy carbonyl, heterocyclyl alkyl oxy carbonyl, aryl heterocyclyl sulfonyl, alkyl sulfonyl, aryl sulfonyl, heterocyclyl sulfonyl or a group of formula (A) wherein X is O or S and R?7 and R8¿ independently are H, alkyl, aryl, heterocyclyl, aryl alkyl, heterocyclyl alkyl or R7 an R8 together with the notrogen atom to which they are attached form a saturated ring optionally containing a further hetero atom or a group (B) wherein when n=1, Y represents N, R9 is H or alkyl and R10 H, alkyl, aryl, alkyl, heterocyclyl alkyl, aryl, heterocyclyl or R?9 and R10¿ taken together with the hetero atom to which they are attached form a heterocycle R?11 and R12¿ independently are H or alkyl or R?11 and R12¿ taken together with the carbon atom to which they are attached form a cycle, R3, R4 independently are alkyl or taken together with the carbon atom to which they are attached form a carbocycle, R5 is alkyl, aryl alkyl, heterocyclyl alkyl or R?4 and R5¿ taken together with the carbon and sulfur atom to which they are attached form a heterocycle and R6 is alkyl, aryl alkyl, heterocyclyl alkyl, alkyl oxy alkyl, hydroxy alkyl, amino alkyl, fluoro alkyl and R13 is H or the residue of an inorganic ester and R15 is aryl, with the proviso that, if R?3, R4 and R5¿ are methyl, R6 is tert.butyl, R13 is H and if R15 is phenyl R2 is not benzyl oxycarbonyl and not 2-quinoline carbonyl. The compounds of formula (I) are potent inhibitors of the HIV aspartyl protease and can therefore be used in the treatment of HIV related diseases.
• HIV protease inhibitors
  申请人：Hoffmann-La Roche Inc.

  公开号：US06472404B1

  公开（公告）日：2002-10-29

  The present invention discloses novel isoquinoline carboxamide derivatives which are HIV protease inhibitors or prodrugs thereof, a process for their manufacture, pharmaceutical compositions and the use of such compounds in medicine. In particular, the compounds are hydroxyethylamine tripeptide mimetics which act as inhibitors of the HIV aspartyl protease, an essential enzyme in the replicative life cycle of HIV. Consequently, the compounds of this invention may be advantageously used in the treatment of HIV infection, either alone or in combination with other inhibitors of HIV viral replication or with pharmacoenhancers such as cytochrome P450 inhibitors.

  本发明公开了新型异喹啉羧酰胺衍生物，其为HIV蛋白酶抑制剂或其前药，以及其制备方法、药物组合物和在医学中使用这些化合物的用途。具体而言，这些化合物是羟乙基胺三肽类似物，可作为HIV天冬氨酸蛋白酶的抑制剂，该酶是HIV复制生命周期中不可或缺的酶。因此，本发明的化合物可以有益地用于治疗HIV感染，可以单独使用，也可以与其他HIV病毒复制抑制剂或细胞色素P450抑制剂等药物增强剂联合使用。