(Z)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one | 60777-96-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (Z)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
• 英文别名: 4-ethoxymethylene-2-phenyl-2-oxazolin-5-one；4-ethoxymethylene-2-phenyl-5(4H)-oxazolone；oxazolone；(4Z)-4-(ethoxymethylidene)-2-phenyl-1,3-oxazol-5-one
• CAS: 60777-96-0
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: SJHPCNCNNSSLPL-NTMALXAHSA-N

物化性质

• 熔点：
  96 °C
• 沸点：
  308.8±52.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one 在 manganese(IV) oxide 作用下， 以 苯 为溶剂， 生成 4-indol-1-ylmethylene-2-phenyl-4H-oxazol-5-one
  参考文献：
  名称：

  Srinivasan,K. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1976, vol. 14, p. 991 - 993

  摘要：

  DOI：
• 作为产物：
  描述：

  马尿酸 、 原甲酸三乙酯 在 丙酸酐 作用下， 以47%的产率得到(Z)-4-(ethoxymethylene)-2-phenyloxazol-5(4H)-one
  参考文献：
  名称：

  3,4-二氢二茂铁[c]吡啶与吖内酯反应合成3-氨基-6,7-二氢二茂铁[a]Quinolizin-4-One衍生物

  摘要：

  3,4-二氢二茂铁[ c ]吡啶与4-(乙氧基亚甲基)-和4-(3-oxo-2)反应得到3-氨基-6,7-二氢二茂铁[ a ]quinolizin-4-one的衍生物-benzofuran-1(3 H )-ylidene)-2-phenyl-1,3-oxazol-5(4 H )-ones (azlactones)，产率适中。分离得到4-(乙氧基亚甲基)-2-苯基-1,3-恶唑-5( 4H )-one与1-烷基-3,4-二氢二茂铁[ c ]吡啶的烷基加成的中间产物和特点。4-benzylidene-2-phenyl-1,3-oxazol-5(4 H )-one 与 3,4-dihydroferroceno[ c] 吡啶导致 3-氨基-2-苯基-3,4,6,7-四氢二茂铁[ a ]quinolizin-4-one 衍生物的形成，其被 DDQ 氧化为 3-氨基-2-苯基-6 ,7-二氢二茂铁[ a

  DOI：

  10.1007/s10593-022-03050-5

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• Therapeutic [1]benzothiopyrano[4,3-c]pyrazoles
  申请人：The Boots Company PLC

  公开号：EP0354694A1

  公开（公告）日：1990-02-14

  This invention relates to compounds of formula I wherein R₁ represents hydrogen or together with R₂ represents a bond; R₂ together with either one of R₁ and R₃ represents a bond; R₃ represents methyl or together with either one of R₂ and R₄ forms a bond; R₄ represents hydrogen or together with R₃ represents a bond; R₅ represents methyl or ethyl when R₃ together with either one of R₂ and R₄ forms a bond or R₅ represents hydrogen when R₃ represents methyl; R₆ represents hydrogen, halo, trifluoromethyl, a C₁₋₆ alkylthio group, a C₁₋₆ alkyl group or a C₁₋₆ alkoxy group; R₇ represents hydrogen, halo or trifluoromethyl; and R₈ represents hydrogen, halo, trifluoromethyl, hydroxy or a C₁₋₆ alkyl group which have immunomodulatory activity. Compositions containing these compounds and processes to make them are also disclosed.

  这项发明涉及式I的化合物 其中R₁代表氢或与R₂一起代表键；R₂与R₁和R₃中的任一者一起代表键；R₃代表甲基或与R₂和R₄中的任一者一起形成键；R₄代表氢或与R₃一起代表键；R₅代表甲基或乙基，当R₃与R₂和R₄中的任一者一起形成键时，或者R₅代表氢，当R₃代表甲基时；R₆代表氢、卤素、三氟甲基、C₁₋₆烷硫基团、C₁₋₆烷基团或C₁₋₆烷氧基团；R₇代表氢、卤素或三氟甲基；R₈代表氢、卤素、三氟甲基、羟基或具有免疫调节活性的C₁₋₆烷基团。还公开了含有这些化合物的组合物和制备它们的方法。
• 4-(3-benzoylaminophenyl)-6,7-dimethoxy-2-methylaminoquinazoline derivatives
  申请人：Miyazaki Kazuki

  公开号：US20070299094A1

  公开（公告）日：2007-12-27

  A compound represented by the following formula (I), salt thereof, or hydrate thereof, can effectively relieve itch caused by atopic disease or the like: wherein R represents hydroxyl, C 1-6 alkoxy optionally substituted with C 1-6 alkoxy, or amino optionally substituted with C 1-6 alkyl.

  以下式(I)表示的化合物、其盐或水合物，可以有效缓解由异位性疾病等引起的瘙痒： 其中R代表羟基，C1-6烷氧基，可选地被C1-6烷氧基取代，或者氨基，可选地被C1-6烷基取代。
• [EN] CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE CYANOINDOLINE COMME INHIBITEURS DE NIK
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018002219A1

  公开（公告）日：2018-01-04

  Fused aromatic bicyclic substituted 5-(2-amino-4-pyrimidinyl)- cyanoindoline derivatives (I) useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-KB-inducing kinase (NIK - also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  融合的芳香族双环取代5-(2-氨基-4-嘧啶基)-氰基吲哚衍生物（I）用于哺乳动物的治疗和/或预防，特别是用于抑制NF-KB诱导激酶（NIK - 也称为MAP3K14）的抑制剂，用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病。本发明还涉及包含这些化合物的药物组合物，以及使用这些化合物或药物组合物预防或治疗癌症、炎症性疾病、包括肥胖和糖尿病的代谢性疾病和自身免疫性疾病。
• Inhibitors of interleukin-1.beta. converting enzyme
  申请人：Vertex Pharmaceuticals, Inc.

  公开号：US05656627A1

  公开（公告）日：1997-08-12

  The present invention relates to novel classes of compounds which are inhibitors of interleukin-1.beta. converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.

  本发明涉及一类新型化合物，它们是白细胞介素-1β转化酶（ICE）的抑制剂。本发明的ICE抑制剂具有特定的结构和理化特性。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适合于抑制ICE活性，因此可以作为治疗由白细胞介素-1介导的疾病的有效药物，包括炎症性疾病、自身免疫性疾病和神经退行性疾病。本发明还涉及抑制ICE活性的方法以及使用本发明的化合物和组合物治疗由白细胞介素-1介导的疾病的方法。

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