(E)-3-(3-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en-1-one | 16212-43-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(3-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en-1-one
• 英文别名: (E)-3-(3-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one；(E)-3-(3-methoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
• CAS: 16212-43-4
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: ITGYAJMCQSYXIE-CMDGGOBGSA-N

物化性质

• 沸点：
  409.5±45.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-(3-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en-1-one 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 3-(3-methoxyphenyl)-1-methylindolizine
  参考文献：
  名称：

  Metal-Free Construction of Multisubstituted Indolizines via Intramolecular Amination of Allylic Alcohols

  摘要：

  DOI：

  10.1021/acs.joc.3c00469
• 作为产物：
  描述：

  2-乙酰基吡啶 、 苯甲醛 在 sodium hydroxide 作用下， 以 水 为溶剂， 以98%的产率得到(E)-3-(3-methoxyphenyl)-1-(pyridin-2-yl)-prop-2-en-1-one
  参考文献：
  名称：

  通过在蛋白质二聚体界面上创建一个新的活性位点来选择对映选择性的人工金属酶。

  摘要：

  分为两半：通过在转录因子LmrR的二聚体界面上形成一个新的活性位点来生成人工金属酶。通过与二聚体各一半中的配体结合而引入两个铜中心。使用该系统，在基准Cu II催化的Diels-Alder反应中（见方案）可得到高达97％的 ee。

  DOI：

  10.1002/anie.201202070

文献信息

• Pyridazinones and triazinones and medicinal use thereof
  申请人：——

  公开号：US20030225081A1

  公开（公告）日：2003-12-04

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 , etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种在AMPA受体和/或翘曲酸受体上表现出优异的抑制作用的新型化合物。也就是说，它提供了以下公式所代表的化合物、其盐或其水合物。在该公式中，A1、A2和A3彼此独立，每个代表一个C3-8环烷基、一个C3-8环烯基、一个5-至14-成员非芳香杂环基、一个C6-14芳香烃环基或一个5-至14-成员芳香杂环基，每个都可以被取代；Q代表O、S或NH；Z代表C或N；X1、X2和X3彼此独立，每个代表一个单键，一个可选择取代的C1-6烷基基团，一个可选择取代的C2-6烯基基团，一个可选择取代的C2-6炔基基团，—NH—、—O—、—NHCO—、—CONH—、—SO0-2等；R1和R2彼此独立，每个代表一个氢原子或一个可选择取代的C1-6烷基基团，或者R1和R2可以结合在一起，使得CR2-ZR1形成C═C；和R3代表一个氢原子或一个可选择取代的C1-6烷基基团等，或者可以与A1或A3中的任何原子结合，与该原子一起形成一个可选择取代的C5-8碳氢环或一个可选择取代的5-至8-成员杂环环。
• [EN] BIOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSES A ACTIVITE BIOLOGIQUE
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2004007501A1

  公开（公告）日：2004-01-22

  Compounds of general formula (I) wherein: Z = CR3R4, where R3 and R4 are independently chosen from CO-7-alkyl P1 = CR5R6, P2 = O, CR7R8 or NR9, Y = CR10R11-C(O) or CR10R11-C(S) or CR10R11-S(O) or CR10R11-SO2 (X)o=.CR16R17 (W)n = 0, S, C(O), S(O) or S(O)2-or NR18 (V)m = C(O), C(S), S(O), S(O)2, S(O)2NH, OC(O), NHC(O), NHS(O), NHS(O)2, OC(O)NH, C(O)NH or CR19R20, C=N-C(O)-OR19 or C=N-C(O)-NHR19, U = a stable. 5- to 7-membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their salts, hydrates, solvates, complexes and prodrugs are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, .for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontitis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthritis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式（I）的化合物中：其中：Z = CR3R4，其中R3和R4分别选择自CO-7-烷基P1 = CR5R6，P2 = O，CR7R8或NR9，Y = CR10R11-C（O）或CR10R11-C（S）或CR10R11-S（O）或CR10R11-SO2（X）o = .CR16R17（W）n = 0，S，C（O），S（O）或S（O）2-或NR18（V）m = C（O），C（S），S（O），S（O）2，S（O）2NH，OC（O），NHC（O），NHS（O），NHS（O）2，OC（O）NH，C（O）NH或CR19R20，C = N-C（O）-OR19或C = N-C（O）-NHR19，U = a stable。5-至7-成员单环或稳定的8-至11-成员双环，其饱和或不饱和，并包括零至四个杂原子及其盐、水合物、溶剂合物、络合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂的抑制剂，并可用作治疗剂，例如在骨质疏松症、Paget病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物还可用于验证治疗靶点化合物。
• Solvent-free enantioselective conjugate addition and bioactivities of nitromethane to Chalcone containing pyridine
  作者：Guoping Zhang、Chun Zhu、Dengyue Liu、Jianke Pan、Jian Zhang、Deyu Hu、Baoan Song

  DOI：10.1016/j.tet.2016.11.063

  日期：2017.1

  catalysts in the enantioselective Michael additions of nitromethane to α,β-unsaturated ketones containing pyridine. The best results were obtained with the bifunctional catalyst prepared from 3,5-di(trifluoromethyl)-aniline under solvent-free conditions. This thiourea promoted the reaction with high enantioselectivities and chemical yields for aryl ketones. The origins of enantioselectivity were further

  测试了一系列来自奎宁的手性硫脲，作为硝基甲烷向含吡啶的α，β-不饱和酮的对映选择性迈克尔加成反应中的催化剂。在无溶剂条件下，由3,5-二（三氟甲基）-苯胺制备的双功能催化剂获得了最佳结果。该硫脲对芳基酮具有高的对映选择性和化学收率，促进了反应。通过实验和计算进一步研究了对映选择性的起源。同时，我们反应得到的产物对水稻细菌性叶枯病表现出有效的抗菌活性，其中S-对映体的性能比R更好。-对映体。鉴于此类分子具有广阔的生物活性，我们的工作有望为开发下一代药物设计提供重要的应用。
• Biologically active compounds
  申请人：Quibell Martin

  公开号：US20060100431A1

  公开（公告）日：2006-05-11

  Compounds of general formula (I) wherein Z=CR 3 R 4 , where R 3 and R 4 are independently chosen from C 0-7 -alkyl P 1 =CR 5 R 6 , P 2 =O, CR 7 R 8 or NR 9 , Y=CR 10 R 11 —C(O) or CR 10 R 11 —C(S) or CR 10 R 11 —S(O) or CR 10 R 11 —SO 2 (X) 0 =.CR 16 R 17 (W) n =0 , S, C(O), S(O) or S(O) 2 — or NR 18 (V) m =C(O), C(S), S(O), S(O) 2 , S(O) 2 NH, OC(O), NHC(O), NHS(O), NHS(O) 2 , OC(O)NH, C(O)NH or CR 19 R 20 , C═N—C(O)—OR 19 or C═N═C(O)—NHR 19 , U=a stable. 5- to 7 membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their sales, hydrates, solvates, complexes and prodruges are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthitis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式(I)的化合物，其中Z=CR3R4，其中R3和R4独立地选择自C0-7烷基；P1=CR5R6，P2=O，CR7R8或NR9；Y=CR10R11—C（O）或CR10R11—C（S）或CR10R11—S（O）或CR10R11—SO2（X）0=.CR16R17（W）n=0、S、C（O）、S（O）或S（O）2—或NR18（V）m=C（O）、C（S）、S（O）、S（O）2、S（O）2NH、OC（O）、NHC（O）、NHS（O）2、OC（O）NH、C（O）NH或CR19R20、C═N—C（O）—OR19或C═N═C（O）—NHR19；U=稳定的5-至7-成员单环或稳定的8-至11-成员双环，它可以是饱和或不饱和，并且可以包含零到四个杂原子，以及它们的盐、水合物、溶剂合物、配合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂，可用作治疗剂，例如在骨质疏松症、帕吉特病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物也可用于验证治疗靶点化合物。
• Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations
  申请人：Nagato Satoshi

  公开号：US20060189622A1

  公开（公告）日：2006-08-24

  The present invention provides a novel compound exhibiting an excellent inhibitory action on AMPA receptor and/or kainate receptor. That is, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, A 1 , A 2 and A 3 are independent of each other and each represents a C 3-8 cycloalkyl group, a C 3-8 cycloalkenyl group, a 5- to 14-membered non-aromatic heterocyclic group, a C 6-14 aromatic hydrocarbon cyclic group or a 5- to 14-membered aromatic heterocyclic group, each of which may be substituted; Q represents O, S or NH; Z represents C or N; X 1 , X 2 and X 3 are independent of each other and each represents a single bond, an optionally substituted C 1-6 alkylene group, an optionally substituted C 2-6 alkenylene group, an optionally substituted C 2-6 alkynylene group, —NH—, —O—, —NHCO—, —CONH—, —SO 0-2 —, etc.; R 1 and R 2 are independent of each other and each represents a hydrogen atom or an optionally substituted C 1-6 alkyl group, or R 1 and R 2 may be bound together such that CR 2 -ZR 1 forms C═C; and R 3 represents a hydrogen atom or an optionally substituted C 1-6 alkyl group etc., or may be bound to any atom in A 1 or A 3 to form, together with the atom, an optionally substituted C 5-8 hydrocarbon ring or an optionally substituted 5- to 8-membered heterocyclic ring.

  本发明提供了一种新型化合物，它表现出对AMPA受体和/或kainate受体的优异抑制作用。即，它提供了由以下公式表示的化合物，其盐或水合物。在该公式中，A1、A2和A3相互独立，每个表示C3-8环烷基、C3-8环烯基、5-至14元非芳杂环基、C6-14芳香烃环基或5-至14元芳香杂环基，每个都可以被取代；Q表示O、S或NH；Z表示C或N；X1、X2和X3相互独立，每个表示单键、可选取代的C1-6烷基、可选取代的C2-6烯基、可选取代的C2-6炔基、—NH—、—O—、—NHCO—、—CONH—、—SO0-2—等；R1和R2相互独立，每个表示氢原子或可选取代的C1-6烷基，或者R1和R2可以结合在一起，使CR2-ZR1形成C═C；R3表示氢原子或可选取代的C1-6烷基等，或者可以与A1或A3中的任何原子结合，在一起形成可选取代的C5-8碳氢环或可选取代的5-至8元杂环。