2-(4-甲氧基苯基)-2-甲基甘氨酸 | 74279-63-3

• 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
• 中文名称: 2-(4-甲氧基苯基)-2-甲基甘氨酸
• 英文名称: 2-(4-methoxyphenyl)-2-methylglycine
• 英文别名: 2-amino-2-(4-methoxyphenyl)propionic acid；2-azaniumyl-2-(4-methoxyphenyl)propanoate
• CAS: 74279-63-3
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD02662546
• 分子量: 195.218
• InChiKey: CAILUIWIXZDVSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  345.3±37.0 °C(Predicted)
• 密度：
  1.205±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-甲氧基苯基)-2-甲基甘氨酸 在 盐酸 作用下， 生成 (S)-(+)-2-methyl-2-(4-methoxyphenyl)glycine
  参考文献：
  名称：

  BMS-201620: a selective beta 3 agonist

  摘要：

  A series of N-(4-hydroxy-3-methylsulfonanilidoethanol)arylglycinamides were prepared and evaluated for their human beta(3) adrenergic receptor agonist activity. SAR studies led to the identification of BMS-201620 (39), a potent beta(3) full agonist (K-i = 93 nM, 93% activation). Based on its favorable safety profile, BMS-201620 was chosen for clinical evaluation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.074
• 作为产物：
  描述：

  5-(P-甲氧基苯基)-5-甲基海因 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 24.0h， 以33%的产率得到2-(4-甲氧基苯基)-2-甲基甘氨酸
  参考文献：
  名称：

  Hydrophobic and electronic factors in the design of dialkylglycine decarboxylase mimics

  摘要：

  The first functional catalytic mimic of the enzyme dialkylglycine decarboxylase is described. This system utilizes a hydrophobically modified polyethylenimine polymer, a pyridoxamine cofactor, and a 2-aryl-2-alkylglycine sacrificial amine source to convert alpha-keto acids to alpha-amino acids at biologically relevant temperatures with multiple turnovers of the pyridoxamine catalyst. The effects of hydrophobic and electronic factors in the 2,2-disubstituted sacrificial amine source and the pyridoxamine catalyst on turnover frequency and turnover number are explored. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.019

文献信息

• Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such
  申请人：Nique Francois

  公开号：US20100063120A1

  公开（公告）日：2010-03-11

  Compounds of formula (I): wherein X is O or S, R 1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R 2 is H. alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R 3 and R 4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R 3 and R 4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R 5 is H, halogen, trifluoromethyl, —CN, or —NO2; not all of R 3 , R 4 , and R 5 being H, R 6 and R 9 are H, halogen, OH; alkyl. hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R 7 and R 8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R 7 and R 8 not being H or halogen; or one of R 7 and R 8 is a pharmaceutically acceptable ester or thioester grouping, or R 6 is C 1-3 -alkyl or, together with either R 1 or R 2 , represents C 1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

  式(I)的化合物：其中X为O或S，R1为酰基，醛基，环烷基，或可选择地取代的烷基，烯基或炔基，R2为H，烷基，羟基烷基，卤代烷基，烯基或炔基；取代烷基；烷基羰基；R3和R4为H，卤素，烷基，烯基，炔基，烷氧基，烷硫基，羟基烷基，卤代烷基，卤代烯基，或卤代炔基；或R3和R4形成一个，可选择的芳香或杂环，可选择地取代的环，R5为H，卤素，三氟甲基，-CN，或-NO2；R3，R4和R5中不全为H，R6和R9为H，卤素，羟基；烷基，羟基烷基，烷氧基，硫代烷基，卤代烷基，烯基，或炔基；R7和R8为H，卤素，羟基，硫氢基；烷氧基或烷硫基，可选择地由羟基和/或卤素取代；R7和R8中的一个不为H或卤素；或R7和R8中的一个为药用可接受的酯或硫酯基团，或R6为C1-3-烷基或，与R1或R2中的任一者一起，代表C1-3烷基或烯基链连接基，可选择地由甲基，三氟甲基，羟基，或卤素取代，以及其药用可接受的盐和酯，可用作选择性雄激素调节剂。
• IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH
  申请人：NIQUE Francois

  公开号：US20100210699A1

  公开（公告）日：2010-08-19

  Compounds of formula (I): wherein X is O or S, R 1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R 2 is H, alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R 3 and R 4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R 3 and R 4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R 5 is H, halogen, trifluoromethyl, —CN, or —NO 2 ; not all of R 3 , R 4 , and R 5 being H, R 6 and R 9 are H, halogen, OH; alkyl, hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R 7 and R 8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R 7 and R 8 not being H or halogen; or one of R 7 and R 8 is a pharmaceutically acceptable ester or thioester grouping, or R 6 is C 1-3 -alkyl or, together with either R 1 or R 2 , represents C 1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

  化合物式（I）：其中X为O或S，R1为酰基，醛基，环烷基，可选取代的烷基，烯基或炔基，R2为H，烷基，羟基烷基，卤代烷基，烯基或炔基；取代烷基；烷基羰基；R3和R4为H，卤素，烷基，烯基，炔基，烷氧基，烷硫基，羟基烷基，卤代烷基，卤代烯基或卤代炔基；或R3和R4形成一个可选的芳香或杂环，可选取代的环，R5为H，卤素，三氟甲基，—CN或—NO2；R3，R4和R5不全为H，R6和R9为H，卤素，OH；烷基，羟基烷基，烷氧基，硫代烷基，卤代烷基，烯基或炔基；R7和R8为H，卤素，OH，SH；烷氧基或烷硫基，可选取代为OH和/或卤素；R7和R8中的一个不为H或卤素；或R7和R8中的一个是药物可接受的酯或硫酯基团，或R6为C1-3烷基或与R1或R2中的一个共同表示C1-3烷基或烯基链连接基团，可选取代为甲基，三氟甲基，OH或卤素，以及其药物可接受的盐和酯，用作选择性雄激素调节剂。
• Imidazo compounds
  申请人：Novartis AG

  公开号：US07879847B2

  公开（公告）日：2011-02-01

  The application relates to novel heterocyclic compounds of the general formula (I) and salts, preferably pharmaceutically acceptable salts, thereof in which R, R1, R2, Q, m and n have the meanings explained in detail in the description, a process for their preparation and the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.

  该申请涉及一种新型杂环化合物，其通式为(I)，以及其盐，优选为药学上可接受的盐，其中R、R1、R2、Q、m和n的含义在说明中详细解释，以及其制备过程以及这些化合物作为药物的用途，特别是作为醛固酮合成酶抑制剂。
• IMIDAZO COMPOUNDS
  申请人：HEROLD Peter

  公开号：US20110092492A1

  公开（公告）日：2011-04-21

  Heterocyclic compounds of the formula (I) and salts, preferably pharmaceutically acceptable salts thereof, are provided in which R, R 1 , R 2 , Q, m and n have the meanings explained in detail in the description. Also provided are a process for their preparation and the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.

  提供了式(I)的杂环化合物及其盐，优选为药学上可接受的盐，其中R、R1、R2、Q、m和n的含义在说明中详细解释。还提供了它们的制备方法以及这些化合物作为药物的用途，特别是作为醛固酮合成酶抑制剂。
• Imidazo Compounds
  申请人：Herold Peter

  公开号：US20090192144A1

  公开（公告）日：2009-07-30

  The application relates to novel heterocyclic compounds of the general formula (I) and salts, preferably pharmaceutically acceptable salts, thereof in which R, R 1 , R 2 , Q, m and n have the meanings explained in detail in the description, a process for their preparation and the use of these compounds as medicaments, in particular as aldosterone synthase inhibitors.

  该申请涉及一种新型杂环化合物，其通式为(I)，并且是其盐，优选为药用可接受的盐，其中R、R1、R2、Q、m和n的含义在说明中详细解释，以及其制备过程和这些化合物作为药物的用途，特别是作为醛固酮合酶抑制剂。