2-碘组氨酸 | 25167-98-0

• 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
• 中文名称: 2-碘组氨酸
• 英文名称: 2-Iodohistidine
• 英文别名: 2-amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid
• CAS: 25167-98-0
• 化学式: C₆H₈IN₃O₂
• 分子量: 281.05
• InChiKey: QYRJIYLZOYRECO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• NMR imaging with Mn(II) coordination compositions
  申请人：SALUTAR, INC.

  公开号：EP0308983A2

  公开（公告）日：1989-03-29

  Enhanced T₁ and T₂ relaxation in NMRI is obtained with solutions of non-chelate coordination compounds of the formula: [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a In the formula, A1, A2, A3 and A4 are the same of different amino-substituted carboxylic acid groups having from 2 to 18 carbons; Y and Z are each the same or a different anion of a pharmaceutically acceptable inorganic acid or an organic carboxylic acid having from 2 to 18 carbons; a is valence of the ions; m, n, o, p, and q are each 1 or 0, (m + n + o + p + q) = 4, and (n + o + p + q) is preferably from 1 to 3; and r is 1, and if Y is a multivalent anion, r is 0 or 1. The solution has a pH within the range of from 4 to 9.5, preferably from 5 to 7, and optimally from 5 to 6.5, and for parenteral administration, a coordination compound concentration of from 0.5 to 4.0 wt%. Preferably, n is from 1 to 3, optimally from 2-4, and most optimally from 2 to 3, and Y and Z are monovalent. For example Y is preferably an anion of an aliphatic carboxylic acid having from 2 to 6 carbons such as acetic, propionic, n-butyric acid, isobutyric acid, valeric acid, isovaleric acid, pivalic acid or gluconic acid, and Z is an inorganic anion such as chloride or sulfate. A1, A2, A3 and A4 are preferably α-amino acids having from 2 to 6 carbons such as glycine.

  利用式中的非螯合物配位化合物溶液，可以增强 NMRI 中的 T₁ 和 T₂ 弛豫： [Mn(II)(H₂O)mA1nA2oA3pA4q]+a(Y,Zr)-a 式中 A1、A2、A3 和 A4 是具有 2 至 18 个碳原子的相同或不同的氨基取代的羧酸基团； Y 和 Z 分别是相同或不同的药学上可接受的无机酸阴离子或具有 2 至 18 个碳原子的有机羧酸阴离子； a 是离子的化合价； m、n、o、p 和 q 各为 1 或 0，（m + n + o + p + q）= 4，（n + o + p + q）最好为 1 至 3；以及 r 为 1，如果 Y 是多价阴离子，则 r 为 0 或 1。 溶液的 pH 值范围为 4 至 9.5，优选 5 至 7，最佳为 5 至 6.5，对于肠外给药，配位化合物的浓度为 0.5 至 4.0 wt%。n 最好为 1 至 3，最佳为 2 至 4，最理想为 2 至 3，Y 和 Z 为一价。例如，Y 最好是具有 2 至 6 个碳原子的脂肪族羧酸的阴离子，如乙酸、丙酸、正丁酸、异丁酸、戊酸、异戊酸、特戊酸或葡萄糖酸，Z 是无机阴离子，如氯化物或硫酸盐。A1、A2、A3 和 A4 最好是具有 2 至 6 个碳原子的 α-氨基酸，如甘氨酸。
• Methods for the preparation of beta-amino acids
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20030113882A1

  公开（公告）日：2003-06-19

  Purified &bgr;-amino acids are of considerable interest in the preparation of pharmacologically active compounds and industrial precursors. Although enantiomerically pure &bgr;-amino acids can be produced by standard chemical synthesis, this traditional approach is time consuming, requires expensive starting materials, and results in a racemic mixture which must be purified further. However, DNA molecules encoding lysine 2,3-aminomutase can be used to prepare &bgr;-amino acids by methods that avoid the pitfalls of chemical synthesis. The present invention provides a method of producing enantiomerically pure &bgr;-amino acids from &agr;-amino acids comprising catalyzing the conversion of an &agr;-amino acid to a corresponding &bgr;-amino acid by utilizing a lysine 2,3-aminomutase as the catalyst.

  纯化的&bgr;-氨基酸在制备药理活性化合物和工业前体方面具有相当大的意义。虽然对映体纯的&bgr;-氨基酸可以通过标准化学合成法生产，但这种传统方法耗时长，需要昂贵的起始原料，而且会产生外消旋混合物，必须进一步纯化。然而，编码赖氨酸 2,3-氨基转化酶的 DNA 分子可以用来制备 &bgr;-氨基酸，其方法避免了化学合成的缺陷。本发明提供了一种从&agr;-氨基酸制备对映体纯&bgr;-氨基酸的方法，包括利用赖氨酸 2,3-氨基转化酶作为催化剂，催化&agr;-氨基酸转化为相应的&bgr;-氨基酸。
• US7452701B2
  申请人：——

  公开号：US7452701B2

  公开（公告）日：2008-11-18
• [EN] METHODS FOR THE PREPARATION OF beta-AMINO ACIDS<br/>[FR] PROCEDES DE PREPARATION DE DOLLAR G(B)-AMINOACIDES
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2004021981A2

  公开（公告）日：2004-03-18

  Purified β-amino acids are of considerable interest in the preparation of pharmacologically active compounds and industrial precursors. Although enantiomerically pure β-amino acids can be produced by standard chemical synthesis, this traditional approach is time consuming, requires expensive starting materials, and results in a racemic mixture which must be purified further. However, DNA molecules encoding lysine 2,3-aminomutase can be used to prepare β-amino acids by methods that avoid the pitfalls of chemical synthesis. The present invention provides a method of producing enantiomerically pure β-amino acids from α-amino acids comprising catalyzing the conversion of an α-amino acid to a corresponding β-amino acid by utilizing a lysine 2,3-aminomutase as the catalyst.