N-alanine | 38254-59-0

• 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: N-alanine
• 英文别名: N-[tris(hydroxymethyl)methyl]alanine；α-Methyl-Tricin；N-carboxyethyl-tris(hydroxymethyl)aminomethane；2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid
• CAS: 38254-59-0
• 化学式: C₇H₁₅NO₅
• 分子量: 193.2
• InChiKey: ODRYXNNGTZOJGX-UHFFFAOYSA-N

物化性质

• 沸点：
  483.4±45.0 °C(Predicted)
• 密度：
  1.375±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  110
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5,5-bis-hydroxymethyl-3-methyl-morpholin-2-one 生成 N-alanine
  参考文献：
  名称：

  Galsomias,J. et al., Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1972, vol. 274, p. 1392 - 1393

  摘要：

  DOI：

文献信息

• Complexes with .sup.99m Tc suitable for radiolabelling monoclonal
  申请人：Johnson Matthey Public Limited Company

  公开号：US05350837A1

  公开（公告）日：1994-09-27

  The ligand L, (R.sup.3)(R.sup.4)(R.sup.5)C--N(R)--C(R.sup.1)(R.sup.2)--(CH.sub.2).sub.n --COOH L where R is hydrogen, hydroxy, alkyl, hydroxyalkyl, or alkylcarboxy, or R and R.sup.1 together may form a mono-, di-, tri-, or tetra-methylene radical, or R and R.sup.3 together may form a mono-, di-, tri-, or tetra-methylene radical, and R.sup.1 and R.sub.2 may be the same or different and are selected from hydrogen, hydroxy, alkyl, hydroxyalkyl, carboxy, alkylcarboxy, alkylamine, alkylthiol, aryl or R.sup.1 and R.sup.2 together may form a tetra- or penta-methylene radical, and R.sup.3 and R.sup.4 and R.sup.5 may be the same or different and are selected from hydrogen, hydroxy, alkyl, hydroxyalkyl, carboxy, alkylcarboxy, provided that at least one of R.sup.3, R.sup.4 and R.sup.5 is hydroxyalkyl, and n is equal to 0, 1 or 2, for example tricine, form useful complexes with .sup.99m Tc, for radiolabelling macromolecules such as monoclonal antibodies.

  配体L，(R.sup.3)(R.sup.4)(R.sup.5)C--N(R)--C(R.sup.1)(R.sup.2)--(CH.sub.2).sub.n --COOH L，其中R为氢、羟基、烷基、羟基烷基或烷基羧基，或R和R.sup.1共同形成单、二、三或四亚甲基基团，或R和R.sup.3共同形成单、二、三或四亚甲基基团，而R.sup.1和R.sub.2可以相同也可以不同，选择自氢、羟基、烷基、羟基烷基、羧基、烷基羧基、烷基胺、烷基硫醇、芳基或R.sup.1和R.sup.2共同形成四亚甲基或五亚甲基基团，而R.sup.3、R.sup.4和R.sup.5可以相同也可以不同，选择自氢、羟基、烷基、羟基烷基、羧基、烷基羧基，只要R.sup.3、R.sup.4和R.sup.5中至少有一个是羟基烷基，n等于0、1或2，例如tricine，与.sup.99m Tc形成有用的复合物，用于放射标记大分子如单克隆抗体。
• Improvements in radiolabelling
  申请人：JOHNSON MATTHEY PUBLIC LIMITED COMPANY

  公开号：EP0569132A1

  公开（公告）日：1993-11-10

  The ligand L, (R³)(R⁴)(R⁵)C-N(R)-C(R¹)(R²)-(CH₂)n-COOH L where R is hydrogen, hydroxy, alkyl, hydroxyalkyl, or alkylcarboxy, or R and R¹ together may form a mono-. di-. tri-. or tetra-methylene radical, or R and R³ together may form a mono-, di- tri-. or tetra-methylene radical, and R¹ and R₂ may be the same or different and are selected from hydrogen, hydroxy, alkyl, hydroxyalkyl, carboxy, alkylcarboxy, alkylamine, alkylthiol, aryl or R¹ and R² together may form a tetra- or penta-methylene radical, and R³ and R⁴ and R⁵ may be the same or different and are selected from hydrogen. hydroxy, alkyl, hydroxyalkyl, carboxy, alkylcarboxy, provided that at least one of R³, R⁴ and R⁵ is hydroxyalkyl, and n is equal to 0, 1 or 2, for example tricine, form useful complexes with 99mTc, for radiolabelling macromolecules such as monoclonal antibodies.

  配体 L、(R³)(R⁴)(R⁵)C-N(R)-C(R¹)(R²)-(CH₂)n-COOH L 其中 R 是氢、羟基、烷基、羟基烷基或烷基羧基，或者 R 和 R¹ 一起可形成单、二、三或四亚甲基基，或者 R 和 R³ 一起可形成单、二、三或四亚甲基基，而 R¹ 和 R₂ 可以相同或不同，并选自氢、羟基、烷基、羟基烷基、羧基、烷基羧基。R¹和R₂可以相同或不同，并且选自氢、羟基、烷基、羟基烷基、羧基、烷基羧基、烷基胺、烷基硫醇、芳基，或者R¹和R²一起可以形成四亚甲基或五亚甲基基，R³和R⁴和R⁵可以相同或不同，并且选自氢、羟基、烷基、羟基烷基、烷基羧基、烷基胺、烷基硫醇、芳基。羟基、烷基、羟烷基、羧基、烷基羧基，条件是 R³、R⁴ 和 R⁵ 中至少有一个是羟烷基，且 n 等于 0、1 或 2，例如三嗪，可与 99mTc 形成有用的复合物，用于大分子（如单克隆抗体）的放射性标记。
• NMR Characterization of3,6-Dioxa-8-azabicyclo[3.2.1]octanes andN-[Tris(hydroxymethyl)methyl]alanine Formedfrom Methylglyoxal in Tris Buffer Solutions
  作者：William A. Bubb

  DOI：10.1002/(sici)1097-458x(199703)35:3<191::aid-omr54>3.0.co;2-c

  日期：1997.3

  The reactions of methylglyoxal in aqueous solutions of Tris [tris(hydroxymethyl)aminomethane] buffer were examined at 600 MHz by two-dimensional NMR experiments selected to circumvent the difficulties associated with spectral assignment in the presence of intense resonances due to both solvent and buffer. Methylglyoxal, generated in situ from glyceraldehyde 3-phosphate, reacted with Tris to yield principally a mixture of 3,6-dioxa-8-azabicyclo[3.2.1]octanes. H-1 and C-13 NMR parameters are reported for three compounds containing this little-known ring system and structural influences compared with those in related compounds. A much slower reaction led to the ultimate formation of N-[tris(hydroxymethyl)methyl]alanine. Implications for various enzyme assays are considered and the results are compared with previous observations of reactions of a-dicarbonyl compounds with a-amino alcohols. (C) 1997 by John Wiley & Sons, Ltd.
• US5350837A
  申请人：——

  公开号：US5350837A

  公开（公告）日：1994-09-27

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