5-乙基-2(3h)-苯噁唑酮 | 151254-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 中文名称: 5-乙基-2(3h)-苯噁唑酮
• 中文别名: 5-乙基苯并恶唑酮
• 英文名称: 5-Ethylbenzo[d]oxazol-2(3H)-one
• 英文别名: 5-ethyl-3H-1,3-benzoxazol-2-one
• CAS: 151254-40-9
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: WZIUGDMSWHGYBO-UHFFFAOYSA-N

物化性质

• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-乙基-2(3h)-苯噁唑酮 、 3-甲氧基溴苄 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 5-ethyl-3-(3-methoxybenzyl)benzoxazol-2-one
  参考文献：
  名称：

  Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)

  摘要：

  The cytokine MIF is involved in inflammation and cell proliferation via pathways initiated by its binding to the transmembrane receptor CD74. MIF also exhibits keto-enol tautomerase activity, believed to be vestigial in mammals. Starting from a 1 mu M hit from virtual screening, substituted benzoxazol-2-ones have been discovered as antagonists with IC50 values as low as 7.5 nM in a tautomerase assay and 80 nM in a MIF-CD74 binding assay. Additional studies for one of the potent inhibitors demonstrated that it is not a covalent inhibitor of MIF and that it attenuates MIF-dependent ERK1/2 phosphorylation in human synovial fibroblasts. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.129
• 作为产物：
  描述：

  2-氨基-4-乙基苯酚 、 对硝基苯基氯甲酸酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 5-乙基-2(3h)-苯噁唑酮
  参考文献：
  名称：

  Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF)

  摘要：

  The cytokine MIF is involved in inflammation and cell proliferation via pathways initiated by its binding to the transmembrane receptor CD74. MIF also exhibits keto-enol tautomerase activity, believed to be vestigial in mammals. Starting from a 1 mu M hit from virtual screening, substituted benzoxazol-2-ones have been discovered as antagonists with IC50 values as low as 7.5 nM in a tautomerase assay and 80 nM in a MIF-CD74 binding assay. Additional studies for one of the potent inhibitors demonstrated that it is not a covalent inhibitor of MIF and that it attenuates MIF-dependent ERK1/2 phosphorylation in human synovial fibroblasts. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.129

文献信息

• PROTEIN KINASE INHIBITORS
  申请人：Song Yonghong

  公开号：US20090054425A1

  公开（公告）日：2009-02-26

  Compounds, particularly compounds having spleen tyrosine kinase (Syk) inhibition activity, having the following structure: or a pharmaceutically acceptable salt thereof, wherein R 1 is structure (a), (b), (c) or (d): and R a , R b , R c , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined herein. Methods associated with preparation and use of the same, as well as pharmaceutical compositions containing the same, are also disclosed, as well as uses of the same to treat a condition or disorder mediated by a Syk and/or JAK kinase.

  化合物，特别是具有脾酪氨酸激酶（Syk）抑制活性的化合物，具有以下结构： 或其药学上可接受的盐， 其中R 1 为结构（a）、（b）、（c）或（d）： 而R a ，R b ，R c ，R 2 ，R 3 ，R 4 ，R 5 ，R 6 和R 7 如本文所定义。涉及其制备和使用的方法，以及含有其的药物组合物，也被揭示，以及使用其来治疗由Syk和/或JAK激酶介导的疾病或疾病。
• [EN] MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS<br/>[FR] COMPOSÉS DE MORPHOLINONE EN TANT QU'INHIBITEURS DE FACTEUR IXA
  申请人：MOCHIDA PHARM CO LTD

  公开号：WO2010065717A1

  公开（公告）日：2010-06-10

  The present invention provides a compound of Formula (I) as described herein, or a pharmaceutically acceptable salt or a solvate thereof. The present invention also provides pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing a thromboses, embolisms, hypercoagulability or fibrotic changes.

  本发明提供了如下描述的化合物I的化合物，或其药用可接受的盐或溶剂。本发明还提供包含一个或多个所述化合物的药物组合物，以及使用所述化合物治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。
• CHROMAN DERIVATIVES AS TRPM8 INHIBITORS
  申请人：AMGEN INC.

  公开号：US20140045855A1

  公开（公告）日：2014-02-13

  Chroman compounds and derivatives of Formula I are useful inhibitors of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  Formula I的Chroman化合物和衍生物是TRPM8的有用抑制剂。这些化合物在治疗多种由TRPM8介导的疾病和症状方面具有用途，并可用于制备治疗这些疾病和症状的药物和药物组合物。这些疾病的例子包括，但不限于，偏头痛和神经病性疼痛。Formula I的化合物具有以下结构：变量的定义在此提供。
• Cyclic compounds
  申请人：Yamada Koichiro

  公开号：US20080027037A1

  公开（公告）日：2008-01-31

  1. A cyclic compound of the formula (I) or a pharmacologically acceptable salt thereof, wherein X is ═CH— or ═N—, Y is —NH—, —NR 4 —, —S—, —O—, —CH═N—, —N═CH—, —N═N—, —CH═CH—, etc., R 1 is a lower alkoxy group, an amino group, a heterocyclic ring containing N atom(s), or a hydroxy group substituted by a heterocyclic ring containing N atom(s) (each of which is optionally substituted), R 2 is a lower alkylamino group which is optionally substituted by an aryl group, a lower alkoxy group which is optionally substituted by an aryl group, a lower alkoxy group substituted by an aromatic heterocyclic ring containing N atom(s), R 3 is an aryl group, a heterocyclic ring containing N atom(s), a lower alkyl group, a lower alkoxy group, a cyclo lower alkoxy group, a hydroxy group substituted by a heterocyclic ring containing N atom(s), or an amino group (each of which is optionally substituted), and R 3 and a substituent in Y may be combined to form a lactone ring. The compound of the present invention has excellent selective PDE V inhibitory activity and therefore, is useful as a therapeutic or prophylactic drug for treating various diseases due to functional disorders on cGMP-signaling.

  公式（I）的环状化合物或其药学上可接受的盐，其中X为═CH—或═N—，Y为—NH—、—NR4—、—S—、—O—、—CH═N—、—N═CH—、—N═N—、—CH═CH—等，R1为较低的烷氧基、氨基、含N原子的杂环环或含N原子的杂环环取代的羟基（每个都可选地取代），R2为较低的烷基氨基，可选地取代芳基基团、可选地取代的较低的烷氧基、取代芳香族含N原子的杂环环的较低的烷氧基，R3为芳基基团、含N原子的杂环环、较低的烷基、较低的烷氧基、环状较低的烷氧基、含N原子的杂环环取代的羟基或氨基（每个都可选地取代），R3和Y中的取代基可结合形成内酯环。本发明的化合物具有优异的选择性PDE V抑制活性，因此，可用作治疗或预防因cGMP信号传导功能障碍引起的各种疾病的药物。
• Benzoxazolinones and their use as herbicides
  申请人：Imperial Chemical Industries plc

  公开号：US05232899A1

  公开（公告）日：1993-08-03

  A herbicidal substituted benzoxazolinones of the formula ##STR1## in which: R is hydrogen, alkyl, alkoxy, alkenyloxy, alkynyloxy, carboxyalkoxy, alkoxycarbonylalkoxy, alkoxyalkoxy, cyanoalkoxy, haloalkysulphonylamino, alkysulphonylamino, alkoxycarbonyl, haloalkyl, halogen, nitro, carboxy, carboxyalkyl, hydroxy, benzyloxy and cyano; n is 0, 1, 2, or 3; R.sup.1 is hydrogen, nitro, halogen, cyano, haloalkyl, alkyl, alkyoxy, and alkythio; R.sup.2 is hydrogen, halogen, haloalkyl, haloalkyoxy, nitro and cyano; and Z is N or C--R.sub.3, wherein R.sub.3 is hydrogen, halogen, nitro, cyano, alkythio, alkoxy and haloalkyl. Also disclosed is an herbicidal composition and method of treating weeds.

  一种公式为##STR1##的除草剂取代苯并噁唑酮，其中：R是氢，烷基，烷氧基，烯基氧基，炔基氧基，羧基烷氧基，烷氧羧酸烷氧基，烷氧基烷氧基，氰基烷氧基，卤代烷磺酰氨基，烷基磺酰氨基，烷氧羰基，卤代烷基，卤素，硝基，羧基，羧基烷基，羟基，苄氧基和氰基; n为0,1,2或3; R.sup.1是氢，硝基，卤素，氰基，卤代烷基，烷基，烷氧基和烷硫基; R.sup.2是氢，卤素，卤代烷基，卤代烷氧基，硝基和氰基; Z为N或C--R.sub.3，其中R.sub.3是氢，卤素，硝基，氰基，烷硫基，烷氧基和卤代烷基。还公开了一种除草剂组合物和处理杂草的方法。