dimethyltyrosine | 13664-49-8

• 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: dimethyltyrosine
• 英文别名: N,N dimethyltyrosine；2-(Dimethylamino)-3-(4-hydroxyphenyl)propanoic acid
• CAS: 13664-49-8；17350-74-2
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: WJJGAKCAAJOICV-UHFFFAOYSA-N

物化性质

• 熔点：
  113 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  420.2±47.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  dimethyltyrosine 、 3-tert-butyloxycarbonyl-2-(4-aminobutyl)aminoimidazoline 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  [EN] ANTIMICROBIAL COMPOUNDS
  [FR] COMPOSES ANTIMICROBIENS

  摘要：

  公开号：

  WO2004012506A3

文献信息

• PEPTIDE ANALOGUES
  申请人：Barber Christopher Gordon

  公开号：US20110207654A1

  公开（公告）日：2011-08-25

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as opioid agonists.

  本发明涉及式（I）化合物及其药用可接受盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为阿片受体激动剂。
• Process for the preparation of opioid modulators
  申请人：Cai Chaozhong

  公开号：US20060211861A1

  公开（公告）日：2006-09-21

  The present invention is directed to novel processes for the preparation of opioid modulators (agonists and antagonists) and intermediates in their synthesis. The opioid modulators are useful for the treatment and prevention of as pain and gastrointestinal disorders.

  本发明涉及用于制备阿片类药物调节剂（激动剂和拮抗剂）及其合成中间体的新工艺。这些阿片类药物调节剂可用于治疗和预防疼痛和胃肠道疾病。
• Peptide Derivative
  申请人：Sakurada Shinobu

  公开号：US20080009448A1

  公开（公告）日：2008-01-10

  A pharmaceutical composition comprising a peptide derivative or its pharmaceutical equivalent salt having a general formula, R 1 N═C(R 2 )-AA 1 -AA 2 -AA 3 -AA 4 -Y, in which R 1 is such as a hydrogen, R 2 is such as a methyl group, Y is such as a methylamino group, AA 1 is such as a tyrosine group, AA 2 is such as a D-arginine group, AA 3 is such as a phenylalanine group, and AA 4 is such as a N-methyllysine group has analgesic activity against a variety of pains on both subcutaneous and oral administration.

  一种包括肽衍生物或其药用等效盐的药物组合物，其具有一般式R1N═C(R2)-AA1-AA2-AA3-AA4-Y，其中R1为氢，R2为甲基基团，Y为甲基氨基基团，AA1为酪氨酸基团，AA2为D-精氨酸基团，AA3为苯丙氨酸基团，AA4为N-甲基赖氨酸基团，在皮下和口服给药时对各种疼痛具有镇痛活性。
• Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics
  申请人：Li Lingjun

  公开号：US20130078728A1

  公开（公告）日：2013-03-28

  Compositions and methods of tagging peptides and other molecules using novel isobaric tandem mass tagging reagents, including novel N,N-dimethylated amino acid 8-plex and 16-plex isobaric tandem mass tagging reagents. The tagging reagents comprise: a) a reporter group having at least one atom that is optionally isotopically labeled; b) a balancing group, also having at least one atom that is optionally isotopically labeled, and c) an amine reactive group. The tagging reagents disclosed herein serve as attractive alternatives for isobaric tag for relative and absolute quantitation (iTRAQ) and tandem mass tags (TMTs) due to their synthetic simplicity, labeling efficiency and improved fragmentation efficiency.

  使用新型等比串联质谱标记试剂标记肽和其他分子的组合物和方法，包括新型N,N-二甲基化氨基酸8-plex和16-plex等比串联质谱标记试剂。这些标记试剂包括：a）至少有一个原子可选择同位素标记的报告基团；b）至少有一个原子可选择同位素标记的平衡基团；以及c）胺基反应基团。本文披露的标记试剂作为等比标记相对和绝对定量（iTRAQ）和串联质谱标记（TMTs）的吸引人的替代品，由于其合成简单性、标记效率和改善的碎裂效率。
• Enkephalin Analogues
  申请人：Owen Dafydd Rhys

  公开号：US20140121279A1

  公开（公告）日：2014-05-01

  The present invention relates to dipeptide enkephalin analogues of Formula (I) and their tautomers, ionic forms and pharmaceutically acceptable salts, and their use in medicine, in particular as opioid agonists.

  本发明涉及公式（I）的二肽恩啡啉类似物及其互变异构体、离子形式和药用可接受盐，并且其在医学上的应用，特别是作为阿片受体激动剂。