异噁唑并[5,4-b]吡啶-3-醇 | 16880-54-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异恶唑并吡啶类
• 中文名称: 异噁唑并[5,4-b]吡啶-3-醇
• 中文别名: 异噁唑并[5,4-B]吡啶-3-醇；异恶唑并[5,4-B]吡啶-3-醇
• 英文名称: 3-Hydroxy-pyrido<3,2-d>isoxazol
• 英文别名: isoxazolo[5,4-b]pyridin-3-one；isoxazolo[5,4-b]pyridin-3-ol；3-hydroxypyrido[3,2-d]isoxazole；[1,2]oxazolo[5,4-b]pyridin-3-one
• CAS: 16880-54-9
• 化学式: C₆H₄N₂O₂
• mdl: MFCD00661425
• 分子量: 136.11
• InChiKey: VHMSVJIBCHFSKU-UHFFFAOYSA-N

物化性质

• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  异噁唑并[5,4-b]吡啶-3-醇 、 4-methylpiperidine-1-carbonyl chloride 在 吡啶 、 三乙胺 作用下， 反应 10.0h， 以42%的产率得到4-methyl-piperidine-1-carboxylic acid isoxazolo[5,4-b]pyridin-3-yl ester
  参考文献：
  名称：

  WO2006/111321

  摘要：

  公开号：
• 作为产物：
  描述：

  2-chloro-N-hydroxy-nicotinamide 在 sodium hydroxide 作用下， 生成 异噁唑并[5,4-b]吡啶-3-醇
  参考文献：
  名称：

  泛素及相关化合物的合成

  摘要：

  毒蝇伞活性成分之一，5-氨基甲基-3-羟基异恶唑（I）是由3-溴-5-甲基异恶唑通过3-甲氧基异恶唑-5-乙酸（XIII）和3-甲氧基异恶唑-5-羧酸（XXa）合成的。通过用乙硼烷还原酰胺。通过第一种方法类似地由3-羟基-4,5-二甲基异恶唑和4-乙基-3-羟基-5-甲基异恶唑制备了（I）在4-位具有甲基和乙基取代基的类似物。（I）具有5个较长碱性侧链的同系物是通过3-甲氧基异恶唑-5-丙酸（XXIIb）的Curtius反应，以及通过乙硼烷还原3-甲氧基异恶唑-5-乙酸的酰胺而制得的（I）同源物XIII）和3-甲氧基-4-甲基异恶唑-5-乙酸（XXIb）。

  DOI：

  10.1039/j39680000172

文献信息

• Isoxazole derivatives
  申请人：Sankyo Company, Limited

  公开号：US05965591A1

  公开（公告）日：1999-10-12

  An isoxazole compound having the following formula: wherein R.sup.1 represents hydrogen, halogen, alkyl, alkoxy, hydroxyl, alkylthio, amino, alkanoyl, alkanoylamino, alkanoyloxy, alkoxycarbonyl, carboxy, (alkylthio)thiocarbonyl, carbamoyl, nitro or cyano; R.sup.2 represents an amino; m is 1; n is 1 to 6; ring A represents a phenyl ring or a naphthyl ring; and X represents oxygen or sulfur. The isoxazole compound has an excellent monoamine oxidase inhibitory activity, and is useful for treating Parkinson's disease, depression and Alzheimer's disease.

  一种异噁唑化合物具有以下结构式：其中R.sup.1代表氢、卤素、烷基、烷氧基、羟基、烷硫基、氨基、烷酰基、烷酰胺基、烷酰氧基、烷氧羰基、羧基、(烷硫基)硫代羰基、氨基甲酰基、硝基或氰基；R.sup.2代表氨基；m为1；n为1至6；环A代表苯环或萘环；X代表氧或硫。该异噁唑化合物具有出色的单胺氧化酶抑制活性，可用于治疗帕金森病、抑郁症和阿尔茨海默病。
• AZOLE DERIVATIVES IN THE FORM OF LIPASE AND PHOSPHOLIPASE INHIBITORS
  申请人：Zoller Gerhard

  公开号：US20080090867A1

  公开（公告）日：2008-04-17

  The invention relates to azole derivatives of the general formula I as defined in the present application as well as to their uses in treatment of conditions that would benefit from their inhibitory effect on hormone sensitive lipase, HSL, an allosteric enzyme in adipocytes which is inhibited by insulin and is responsible for the breakdown of fats in fat cells and thus for transferring fat constituents into the blood stream. Inhibition of this enzyme is therefore equivalent to an insulin-like effect of the compounds of the invention.

  本发明涉及一般式I所定义的唑类衍生物，以及它们在治疗需要其抑制荷尔蒙敏感性脂肪酶（HSL）的条件中的用途。HSL是脂肪细胞中的一种变构酶，受胰岛素抑制，负责分解脂肪细胞中的脂肪，并将脂肪成分转移到血液中。因此，抑制该酶等同于本发明化合物的胰岛素样效应。
• AZOLOPYRIDIN-3-ONE DERIVATIVES AS INHIBITORS OF LIPASES AND PHOSPHOLIPASES
  申请人：Zoller Gerhard

  公开号：US20090054478A1

  公开（公告）日：2009-02-26

  The present invention relates to azolopyridin-3-one derivatives of the general formula I with the meanings indicated in the description, their pharmaceutically usable salts and their use as medicinal substances.

  本发明涉及一般式I的氮杂吡啶-3-酮衍生物，其含义在描述中指示，以及它们的药用盐和作为药物物质的用途。
• Azolopyridin-3-one derivatives as inhibitors of lipases and phospholipases
  申请人：Sanofi-Aventis

  公开号：US08148395B2

  公开（公告）日：2012-04-03

  The present invention relates to azolopyridin-3-one derivatives of the general formula I with the meanings indicated in the description, their pharmaceutically usable salts and their use as medicinal substances.

  本发明涉及通式I的氮杂吡啶-3-酮衍生物，其含义在说明书中指示，其药用盐以及它们作为药物物质的用途。
• ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE
  申请人：Shionogi & Co., Ltd.

  公开号：US20140288302A1

  公开（公告）日：2014-09-25

  A pharmaceutical composition including a compound of formula (I): its pharmaceutically acceptable salt, or a solvate thereof. Ring A is nitrogen-containing hetero ring, Ring A may be substituted with a substituent other than a group represented by formula: —C(R 1 R 2 )—C(═O)—NR 3 R 4 and a group represented by formula: —R 5 , a broken line represents presence or absence of a bond, Z is —NR 6 —, ═N—, —O—, or —S—, R 6 is halogen or substituted or unsubstituted alkyl, R 1 and R 2 are each independently hydrogen, halogen, hydroxy, cyano, nitro, carboxy or substituted or unsubstituted alkyl, R 3 is hydrogen or substituted or unsubstituted alkyl, R 4 is hydrogen or substituted or unsubstituted alkyl, R 3 and R 4 taken together with the adjacent nitrogen atom to which they are attached may form a substituted or unsubstituted ring, R 5 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, or substituted or unsubstituted alkynyl.

  一种包括化合物(I)的制药组合物：其药学上可接受的盐或其溶剂合物。环A是含氮杂环，环A可以用除了公式所表示的基团之外的取代基团取代：—C(R1R2)—C(═O)—NR3R4和公式表示的基团：—R5，其中断线表示键的存在或不存在，Z是—NR6—，═N—，—O—或—S—，R6是卤素或取代或未取代的烷基，R1和R2各自独立地是氢、卤素、羟基、氰基、硝基、羧基或取代或未取代的烷基，R3是氢或取代或未取代的烷基，R4是氢或取代或未取代的烷基，R3和R4与它们所连接的相邻氮原子一起可以形成取代或未取代的环，R5是氢、卤素、羟基、氰基、硝基、羧基、取代或未取代的烷基、取代或未取代的烯基或取代或未取代的炔基。