N-(4-acetyl-3-methoxyphenyl)acetamide | 51410-08-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-acetyl-3-methoxyphenyl)acetamide
• 英文别名: 4'-acetamido-2'-methoxylacetophenone；acetic acid-(4-acetyl-3-methoxy-anilide)；Essigsaeure-(4-acetyl-3-methoxy-anilid)
• CAS: 51410-08-3
• 化学式: C₁₁H₁₃NO₃
• mdl: MFCD17169520
• 分子量: 207.229
• InChiKey: KPCQPYBEAUHVGR-UHFFFAOYSA-N

物化性质

• 熔点：
  87 °C
• 沸点：
  414.9±35.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.272
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-acetyl-3-methoxyphenyl)acetamide 在 盐酸 、 lithium hydrochloride monohydrate 作用下， 以 乙醇 、 水 为溶剂， 反应 3.67h， 生成 (E)-1-(4-amino-2-methoxyphenyl)-3-(naphthalen-2-yl)-prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and Identification of New Flavonoids Targeting Liver X Receptor β Involved Pathway as Potential Facilitators of Aβ Clearance with Reduced Lipid Accumulation

  摘要：

  Alzheimer's disease (AD) is associated with impaired A beta degradation in the brain. Enhancing the process of A beta clearance is an attractive potential AD therapy. Treatment with LXR agonists may reduce A beta levels in vivo. However, the clinical potential of many LXR agonists is limited because of their nonselective actions on LXR alpha/beta, which lead to undesired hepatic lipogenesis via LXR alpha-dependent pathways. In this study, ABCA1 up-regulators were identified from a series of flavonoids and were found to preferentially activate LXR beta and up-regulate expression of ABCA1 and apoE in different cell lines. Further investigations confirmed that these compounds facilitate intracellular A beta clearance in A beta-loaded BV2 cells. Administration of compound 19 reduced total brain A beta and plaque burden in APP/PS1 double transgenic mice, associated with elevated ABCA1 and apoE expression. Compared with the nonselective LXR agonists, the active compounds reported here induced less accumulation of undesired lipids and triglycerides in HepG2 cells.

  DOI：

  10.1021/jm301913k
• 作为产物：
  描述：

  3’-甲氧基乙酰苯胺 在 盐酸 、 三氯化铝 、 1,2-二氯乙烷 作用下， 生成 N-(4-acetyl-3-methoxyphenyl)acetamide
  参考文献：
  名称：

  Julia; Baillarge, Bulletin de la Societe Chimique de France, 1952, p. 639

  摘要：

  DOI：

文献信息

• Diaminopyrimidines as P2X3 and P2X2/3 antagonists
  申请人：Broka Allen Chris

  公开号：US20050209260A1

  公开（公告）日：2005-09-22

  Compounds and methods for treating diseases mediated by a P2X 3 and/or a P2X 2/3 receptor antagonist, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I): or a pharmaceutically acceptable salt, solvate or prodrug thereof, wherein D, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein.

  用于治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病的治疗化合物和方法，该方法包括向有需要的受试者施用有效量的式I化合物：或其药学上可接受的盐、溶剂化物或前药，其中D、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。
• Methods of using diaminopyrimidine P2X3 and P2X2/3 receptor modulators for treatment of respiratory and gastrointestinal diseases
  申请人：Broka Allen Chris

  公开号：US20070049609A1

  公开（公告）日：2007-03-01

  Methods for treating respiratory and gastrointestinal diseases mediated by a P2X 3 and/or a P2X 2/3 receptor antagonist, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein D, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein.

  用于治疗由P2X3和/或P2X2/3受体拮抗剂介导的呼吸系统和胃肠道疾病的方法，包括向有此需要的受试者施用有效量的式(I)化合物：或其药学上可接受的盐，其中D、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。
• [EN] DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS<br/>[FR] DIAMINOPYRIMIDINES UTILISEES EN TANT QU'ANTAGONISTES DE P2X3 ET P2X2/3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005095359A1

  公开（公告）日：2005-10-13

  Compounds and methods for treating diseases mediated by a P2X3 and/or a P2X2/3 receptor antagonists, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I) or a pharmaceutically acceptable salt, solvate or prodrug thereof, wherein D, X, Y, R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein.

  本发明涉及用于治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病的化合物和方法，所述方法包括向需要治疗的受体中给予公式（I）的化合物或其药学上可接受的盐、溶剂或前药的有效量，其中D、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。
• ANTIBACTERIAL AGENTS
  申请人：Josyula Vara Prasad Venkata Nagendra

  公开号：US20090221655A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of Formula (I) Or a pharmaceutically acceptable salt thereof wherein: W is CH 2 NHC(═Z)R 1 , C(═Z)NHR 2 , or CH 2 het; X is H, C 1-6 alkyl, or C 2-6 alkenyl; Y is H, or F; Z is O, or S; R 1 is C 1-6 alkyl, NHC 1-6 alkyl, C 3-7 cycloalkyl, C 2-6 alkenyl, or OC 1-4 alkyl; R 2 is H, C 1-4 alkyl, or —OC 1-4 alkyl; and het is a five-(5) or six-(6) membered heterocyclic ring having 1-4 heteroatoms selected from the group consisting of oxygen, sulfur, and nitrogen within the ring, wherein each carbon atom in het is optionally substituted with C 1-4 alkyl, C 2-4 alkenyl, C 2-4 alkynyl, halo, OR 3 , CN, NO 2 , NHR 3 R 3 , oxo, CF 3 , OCF 3 , C(═O)C 1-4 alkyl, OC(═O)C 1-4 alkyl, or C(═O)OR 3 ; wherein R 3 is H, or C 1-4 alkyl.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中： W是CH2NHC（═Z）R1，C（═Z）NHR2或CH2het； X是H、C1-6烷基或C2-6烯基； Y是H或F； Z是O或S； R1是C1-6烷基、NHC1-6烷基、C3-7环烷基、C2-6烯基或OC1-4烷基； R2是H、C1-4烷基或—OC1-4烷基； het是具有1-4个杂原子的五元（5）或六元（6）成员杂环，所述杂原子选自环内的氧、硫和氮的群，其中het中的每个碳原子可选地被C1-4烷基、C2-4烯基、C2-4炔基、卤、OR3、CN、NO2、NHR3R3、氧代、CF3、OCF3、C（═O）C1-4烷基、OC（═O）C1-4烷基或C（═O）OR3取代； 其中R3是H或C1-4烷基。
• DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS
  申请人：Broka Chris Allen

  公开号：US20110077242A1

  公开（公告）日：2011-03-31

  Compounds and methods for treating diseases mediated by a P2X 3 and/or a P2X 2/3 receptor antagonist, the methods comprising administering to a subject in need thereof an effective amount of a compound of formula (I): or a pharmaceutically acceptable salt, solvate or prodrug thereof, wherein D, X, Y, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein.

  本发明涉及化合物和方法，用于治疗由P2X3和/或P2X2/3受体拮抗剂介导的疾病，其中所述方法包括向需要该治疗的受体中施用化合物I式的有效量，或其药学上可接受的盐、溶剂或前药，其中D、X、Y、R1、R2、R3、R4、R5、R6、R7和R8如本文所定义。