2-(methoxymethyl)benzo[d]oxazole | 1159517-46-0

• 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: 2-(methoxymethyl)benzo[d]oxazole
• 英文别名: 2-(Methoxymethyl)-1,3-benzoxazole
• CAS: 1159517-46-0
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: JTXIGJDSXYBMIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(2-hydroxyphenyl)-2-methoxyacetamide 以 neat (no solvent) 为溶剂， 反应 2.0h， 生成 2-(methoxymethyl)benzo[d]oxazole
  参考文献：
  名称：

  A microwave assisted synthesis of benzoxazoles from carboxylic acids

  摘要：

  A series of various poly-substituted benzoxazoles were synthesized starting from readily available carboxylic acids. The method is based on TCT (cyanuric chloride)/microwave acid activation and it is characterized by mild conditions, allowing for a wide range of starting materials and functionalization of final products. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.10.084

文献信息

• NITROGEN-CONTAINING TRICYCLIC DERIVATIVE HAVING HIV REPLICATION INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP3305789A1

  公开（公告）日：2018-04-11

  The present invention provides a novel compound having antiviral activity, especially HIV replication inhibitory activity and a medicament containing the same. The compound represented by the formula: wherein A3 is CR3A, CR3A R3B, N or NR3C; R3A, R3B, R4A and R4B are each independently a hydrogen atom, halogen, cyano, substituted or unsubstituted alkyl, substituted or unsubstituted alkynyl, or substituted or unsubstituted non-aromatic carbocyclyl; R3C is a hydrogen atom, substituted or unsubstituted alkyl, or substituted or unsubstituted non-aromatic carbocyclyl; ring T1 is substituted or unsubstituted nitrogen-containing non-aromatic heterocycle; R1 is a hydrogen atom, halogen, cyano, or substituted or unsubstituted alkyl; R2 is each independently substituted or unsubstituted alkyl or the like: n is 1 or 2; R3 is substituted or unsubstituted aromatic carbocyclyl or the like; R4 is a hydrogen atom or a carboxy protecting group.

  本发明提供了一种具有抗病毒活性的新型化合物，特别是具有抑制HIV复制活性的化合物和含有该化合物的药物。该化合物由以下式表示： 其中A3为CR3A、CR3A R3B、N或NR3C；R3A、R3B、R4A和R4B分别独立地为氢原子、卤素、氰基、取代或未取代的烷基、取代或未取代的炔基，或取代或未取代的非芳香碳环烷基；R3C为氢原子、取代或未取代的烷基，或取代或未取代的非芳香碳环烷基；环T1为取代或未取代的含氮非芳香杂环；R1为氢原子、卤素、氰基，或取代或未取代的烷基；R2分别为取代或未取代的烷基或类似物；n为1或2；R3为取代或未取代的芳香碳环烷基或类似物；R4为氢原子或羧基保护基。
• [EN] DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY<br/>[FR] DÉRIVÉS DE DIHYDROOXAZINE OU D'OXAZÉPINE AYANT UNE ACTIVITÉ INHIBITRICE DE BACE1
  申请人：SHIONOGI & CO

  公开号：WO2014065434A1

  公开（公告）日：2014-05-01

  The present invention provides a compound which has an effect of inhibiting amyloid beta production, especially an effect of inhibiting BACE1, and which is useful as a therapeutic or prophylactic agent for diseases induced by production, secretion and/or deposition of amyloid beta proteins. A compound of the formula (I):wherein X is -C(R3a)(R3b)-, -C(R3a)(R3b)-C(R3c)(R3d)- or -C(R3a)=C(R3c)-, R1 is substituted or unsubstituted alkyl or the like,R2a, R2b, R3a, R3b, R3c and R3d are each independently hydrogen, halogen or the like, R4 is hydrogen or halogen,Ring B is substituted or unsubstituted carbocycle or a substituted or unsubstituted heterocycle, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种化合物，具有抑制淀粉样蛋白β产生的作用，特别是抑制BACE1的作用，并且可用作治疗或预防由淀粉样蛋白β蛋白的产生、分泌和/或沉积引起的疾病的药剂。式(I)的化合物：其中X为-C(R3a)(R3b)-，-C(R3a)(R3b)-C(R3c)(R3d)-或-C(R3a)=C(R3c)-，R1为取代或未取代的烷基或类似物，R2a、R2b、R3a、R3b、R3c和R3d分别独立地为氢、卤素或类似物，R4为氢或卤素，环B为取代或未取代的碳环或取代或未取代的杂环，或其药学上可接受的盐。
• HIV REPLICATION INHIBITOR
  申请人：Shionogi & Co., Ltd.

  公开号：US20140249306A1

  公开（公告）日：2014-09-04

  The present invention provides a novel compound having an antiviral action, in particular, an HIV replication inhibiting action, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein, a broken line means the presence or absence of a bond; R 1 is substituted or unsubstituted alkyl etc., R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is a substituted or unsubstituted aromatic carbocyclic group; R 4 is a hydrogen atom etc.; R 5 is a substituted or unsubstituted aromatic carbocyclic group etc.; Y is a single bond etc.; R 6 is substituted or unsubstituted alkyl; R 7 is —Z—R 71 etc.; Z is —NR 72 —CO— etc.; R 71 is substituted or unsubstituted alkyl etc.; R 72 is a hydrogen atom etc.

  本发明提供了一种具有抗病毒作用的新化合物，特别是具有抑制HIV复制作用的化合物，以及一种药物组合物，特别是一种抗HIV药物。其中，虚线表示键的存在或不存在；R1是取代或未取代的烷基等，R2是取代或未取代的烷氧基等；n为1或2；R3是取代或未取代的芳香环烷基；R4是氢原子等；R5是取代或未取代的芳香环烷基等；Y是单键等；R6是取代或未取代的烷基；R7是—Z—R71等；Z是—NR72—CO—等；R71是取代或未取代的烷基等；R72是氢原子等。
• HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20170240512A1

  公开（公告）日：2017-08-24

  The present invention relates to a compound represented by Formula (I): wherein -L- is —C(═X)—, or the like, —Z— is —NR 5 —, or the like, —Z A — is —NR 5A —, or the like, —W— is —C(R 8 R 9 )n-, —W A — is —C(R 3 R 4 )m-, B is substituted or unsubstituted aromatic carbocyclyl, or the like, Y is a bond, or the like, the ring C is a substituted or unsubstituted aromatic heterocycle, or the like, R 2 is a hydrogen atom, or the like, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising thereof.

  本发明涉及一种由式（I）表示的化合物：其中-L-为—C(═X)—，或类似的，—Z—为—NR5—，或类似的，—ZA—为—NR5A—，或类似的，—W—为—C(R8R9)n-，—WA—为—C(R3R4)m-，B为取代或未取代的芳香环烃基，或类似的，Y为键，或类似的，环C为取代或未取代的芳香杂环，或类似的，R2为氢原子，或类似的，或其药学上可接受的盐，或包括其的药物组成。
• [EN] BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION<br/>[FR] COMPOSÉS 5,6-HÉTÉROAROMATIQUES CONTENANT DE LA BENZYLAMINE UTILES CONTRE UNE INFECTION MYCOBACTÉRIENNE
  申请人：SHIONOGI & CO

  公开号：WO2021050708A1

  公开（公告）日：2021-03-18

  A compound represented by formula (I):, or its pharmaceutically acceptable salt, wherein a group represented by formula: (II) is a group represented by formula: (III) or (IV); R1 is each independently halogen, hydroxy, cyano or the like; m is 0, 1, 2, 3 or 4; R2 is a hydrogen atom, halogen, cyano, substituted or unsubstituted alkyl or the like; R3a,R3b,R3c andR3d are each independently hydrogen atom, halogen or the like, with the proviso that R3a,R3b,R3c andR3d are not simultaneously hydrogen atom; ring C is represented as follows: (V), (VI), (VII), (VIII), (IX) or (X). X is CH or N; Y is CH or N; R4 is each independently halogen, hydroxy, cyano or the like; p is 0 or 1; q is 0, 1, 2, 3 or 4; R5 is CR5C or N; R6 is CR6C or N; R7 is CR7C or N; R8 is CR8C or N; R9 is CR9C or N; with the proviso that R5,R6,R7,R8 andR9 are not simultaneously N; R5C,R6C,R7C,R8C andR9C are each independently hydrogen atom or the like.

  公式（I）表示的化合物，或其药用可接受的盐，其中由公式（II）表示的基团为由公式（III）或（IV）表示的基团；R1分别为卤素、羟基、氰基或类似物；m为0、1、2、3或4；R2为氢原子、卤素、氰基、取代或未取代的烷基或类似物；R3a、R3b、R3c和R3d分别为氢原子、卤素或类似物，但R3a、R3b、R3c和R3d不能同时为氢原子；环C表示如下：（V）、（VI）、（VII）、（VIII）、（IX）或（X）。X为CH或N；Y为CH或N；R4分别为卤素、羟基、氰基或类似物；p为0或1；q为0、1、2、3或4；R5为CR5C或N；R6为CR6C或N；R7为CR7C或N；R8为CR8C或N；R9为CR9C或N；但R5、R6、R7、R8和R9不能同时为N；R5C、R6C、R7C、R8C和R9C分别为氢原子或类似物。