N-<(4-amino-2-methylpyrimidin-5-yl)methyl>-N-(5-hydroxy-3-(methylmercapto)-2-penten-2-yl)formamide | 1155-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-<(4-amino-2-methylpyrimidin-5-yl)methyl>-N-(5-hydroxy-3-(methylmercapto)-2-penten-2-yl)formamide
• 英文别名: N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-hydroxy-1-methyl-2-methylsulfanyl-but-1-enyl)-formamide；N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-hydroxy-1-methyl-2-methylsulfanyl-but-1-en-t-yl)-formamide；N-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-hydroxy-1-methyl-2-methylmercapto-but-1-en-t-yl)-formamid；S-Methyl-thiamin, 3-Methylmercapto-4--amino>-penten-(3)-ol-(1)；S-Methyl-thiamin；N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-5-hydroxy-3-methylsulfanylpent-2-en-2-yl]formamide
• CAS: 1155-42-6
• 化学式: C₁₃H₂₀N₄O₂S
• 分子量: 296.393
• InChiKey: HFASUFNWRRGTGR-XFXZXTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  盐酸硫胺 在 sodium hydroxide 、 乙醇 、 水 作用下， 生成 N-<(4-amino-2-methylpyrimidin-5-yl)methyl>-N-(5-hydroxy-3-(methylmercapto)-2-penten-2-yl)formamide
  参考文献：
  名称：

  Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 143,149

  摘要：

  DOI：

文献信息

• 113. Aneurin. Part X. The mechanism of thiochrome formation from aneurin and aneurin disulphide
  作者：P. Sykes、A. R. Todd

  DOI：10.1039/jr9510000534

  日期：——
• Yonemoto, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1957, vol. 77, p. 1124,1127
  作者：Yonemoto

  DOI：——

  日期：——
• Age-Specific Demographic Profiles of Longevity Mutants in Caenorhabditis elegans Show Segmental Effects
  作者：T. E. Johnson、D. Wu、P. Tedesco、S. Dames、J. W. Vaupel

  DOI：10.1093/gerona/56.8.b331

  日期：2001.8.1

  Demographic profiles of several single-gene longevity mutants of the nematode Caenorhabditis elegans reveal segmental (age-specific) effects on mortality. The mortality profiles of wild-type worms were examined across multiple replicate cultures containing 100,000 or more nematodes and found to be quite replicable, although clear environmental effects are routinely found. The combined profile of wild type was compared with those of three long-lived mutants to determine how age-specific mortality is altered by mutations in age-1, clk-1, or spe-26. In all four genotypes, death rates fit a two-stage Gompertz model better than a one-stage Gompertz; that is, mortality levels off at later ages. The largest genetic effect on mortality was that of an age-1 mutation, which lowered mortality more than fivefold at most later ages. In contrast, a spe-26 mutant had a tenfold lower mortality until approximately 2 weeks of age but ultimately achieved a higher mortality, whereas clk-1 mutants show slightly higher mortality than wild type during the fertile period, early in life, but ultimately level off at lower mortality. Each mutant thus has a distinctive profile of age-specific mortalities that could suggest the time of action of each gene.
• Sugimoto, Hirohiko; Hirai, Kentaro, Heterocycles, 1988, vol. 27, # 27, p. 877 - 880
  作者：Sugimoto, Hirohiko、Hirai, Kentaro

  DOI：——

  日期：——
• Novel S-alkylation products from "isolated thiamin ylide" via thiaminium neothiaminthiolate ion pair
  作者：Hirohiko Sugimoto、Teruyuki Ishiba、Tomohiro Sato、Hiroshi Nakai、Kentaro Hirai

  DOI：10.1021/jo00289a017

  日期：1990.1