2-甲基-6-苯基烟酸 | 66416-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-甲基-6-苯基烟酸
• 英文名称: 2-Methyl-6-phenyl-3-nicotinic acid
• 英文别名: 2-Methyl-6-phenyl-nicotinsaeure；2-Methyl-3-carboxy-6-phenyl-pyridin；2-methyl-6-phenyl-nicotinic acid；2-Methyl-6-phenylnicotinic acid；2-methyl-6-phenylpyridine-3-carboxylic acid
• CAS: 66416-49-7
• 化学式: C₁₃H₁₁NO₂
• mdl: MFCD05739390
• 分子量: 213.236
• InChiKey: XFJZPGWVRLQCHP-UHFFFAOYSA-N

物化性质

• 溶解度：
  >32 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-甲基-6-苯基烟酸 在 水 、 乙酸酐 、 苯甲醛 作用下， 生成 6-phenyl-2-styryl-nicotinic acid
  参考文献：
  名称：

  348.甲基烟酸。第一部分。2-甲基-6-苯基烟酸及其乙酯与醛的缩合

  摘要：

  DOI：

  10.1039/jr9560001778
• 作为产物：
  描述：

  3-氧代-3-苯基丙醛 在 乙醚 、 alkaline solution 作用下， 生成 2-甲基-6-苯基烟酸
  参考文献：
  名称：

  Spaeth; Burger, Monatshefte fur Chemie, 1928, vol. 49, p. 267

  摘要：

  DOI：

文献信息

• Annelation Reactions of Enaminones with Ethyl Acetoacetate. Studies on the .BETA.-Carbonyl Compounds Connected with the .BETA.-Polyketides. XI.
  作者：Naoki TAKEUCHI、Satoko HANDA、Kumi KOYAMA、KOhji KAMATA、Kaori GOTO、Seisho TOBINAGA

  DOI：10.1248/cpb.39.1655

  日期：——

  Though condensation at either the carbonyl oxygen or the unsaturaced carbon adjacent to nitrogen of enaminones can occur in the reaction with the active methylene of ethyl acetoacetate, the results obtained in the condensation reactions of the enaminones 1 and 2 with ethyl acetoacetate in the presence of Knoevenagel catalysts to give the α-pyranones 3 and 4 and with the dianion of ethyl acetoacetate to give the ethyl salicylates 6 and 19 show that these reactions proceed at the latter position.

  尽管在与乙酰乙酸乙酯的活性甲烷中，与enaminones的反应中，碳酰氧或相邻于氮的非饱和碳处都可能发生缩合，但enaminones 1和2与乙酰乙酸乙酯在Knoevenagel催化剂存在下进行的缩合反应，生成α-吡喃酮3和4，以及与乙酰乙酸乙酯的二阴离子反应生成乙酸水杨酯6和19的结果表明，这些反应在后者位置进行。
• Vanilloid receptor modulators
  申请人：MacDonald James Gregor

  公开号：US20060142333A1

  公开（公告）日：2006-06-29

  Certain compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R 1 , R 2 , R 3 , P, X, Y, q, r ans s are as defined in the specification, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds in medicine.

  具有公式（I）的某些化合物，或其药学上可接受的盐或溶剂化物，其中R1、R2、R3、P、X、Y、q、r和s的定义如规范所述，一种制备这种化合物的方法，包括这种化合物的制药组合物以及在医学中使用这种化合物的用途。
• ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS
  申请人：Yamagishi Tatsuya

  公开号：US20120232052A1

  公开（公告）日：2012-09-13

  The present invention relates to aryl carboxamide derivatives of formula (I), wherein Ar 1 is phenyl; Ar 2 is aryl; n is 1-4; X is —O—, —S—, —SO— or —SO 2 —, a prodrug thereof or a pharmaceutically acceptable salt thereof, which have blocking activities of voltage gated sodium channels as the TTX-S channels, and which are useful in the treatment or prevention of such disorders and diseases as pain in which voltage gated sodium channels are involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases as pain in which voltage gated sodium channels are involved.

  本发明涉及公式（I）的芳基羧酰胺衍生物，其中Ar1是苯基；Ar2是芳基；n为1-4；X为—O—、—S—、—SO—或—SO2—，其前体药物或其药学上可接受的盐，具有阻断电压门控钠通道如TTX-S通道的活性，并在治疗或预防涉及电压门控钠通道的疾病和疾病，如疼痛方面中有用。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及电压门控钠通道的疾病和疾病，如疼痛方面的使用。
• Design and synthesis of 6-phenylnicotinamide derivatives as antagonists of TRPV1
  作者：Susan M. Westaway、Mervyn Thompson、Harshad K. Rami、Geoffrey Stemp、Leontine S. Trouw、Darren J. Mitchell、Jon T. Seal、Stephen J. Medhurst、Sarah C. Lappin、James Biggs、James Wright、Sandra Arpino、Jeffrey C. Jerman、Jennifer E. Cryan、Vicky Holland、Kim Y. Winborn、Tanya Coleman、Alexander J. Stevens、John B. Davis、Martin J. Gunthorpe

  DOI：10.1016/j.bmcl.2008.08.105

  日期：2008.10

  6-Phenylnicotinamide (2) was previously identified as a potent TRPV1 antagonist with activity in an in vivo model of inflammatory pain. Optimization of this lead through modi. cation of both the biaryl and heteroaryl components has resulted in the discovery of 6-(4-fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl) nicotinamide (32; SB-782443) which possesses an excellent overall pro. le and has been progressed into pre-clinical development. (C) 2008 Elsevier Ltd. All rights reserved.
• Mumm; Neumann, Chemische Berichte, 1926, vol. 59, p. 1622
  作者：Mumm、Neumann

  DOI：——

  日期：——