1-hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentane-3-thione, sodium-salt | 111734-63-5

• 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: 1-hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentane-3-thione, sodium-salt
• 英文别名: 1-hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentane-3-thione; sodium-salt；1-Hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentan-3-thion; Natrium-Salz
• CAS: 111734-63-5
• 化学式: C₁₂H₁₅N₄OS*Na
• 分子量: 286.333
• InChiKey: MEMMCHDQLHKVMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.23
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  64.44
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 水 、 1-hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentane-3-thione, sodium-salt 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Structures of Thiamine in Basic Solution¹

  摘要：

  DOI：

  10.1021/ja01573a040
• 作为产物：
  描述：

  sodium ethanolate 、 硫胺素 在 乙醇 作用下， 生成 1-hydroxy-4-(7-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)-pentane-3-thione, sodium-salt
  参考文献：
  名称：

  Left ventricular geometry in pregnancy-induced hypertension

  摘要：

  The changes induced by transient hypertension upon cardiac geometry (G) are unclear. Pregnancy-induced hypertension (PIH) offers a natural and spontaneous model of this condition. To assess geometric changes according to two-dimensionally guided M-mode echocardiography, we compared patients with PIH with normal pregnant women (NPW). Fifty-five women, aged 28.5 +/- 7.5 years, with PIH (defined as blood pressure >140/90 mm Hg in the third trimester of pregnancy and without a history of hypertension) were compared with 57 NPW aged 30.7 +/- 7.5 years.Left ventricular mass index (LVMI) (Devereux formula) and relative wall thickness (RWT) (Ganau formula) were calculated by means of echocardiography done in the left lateral decubitus 2 to 4 days postpartum. Subjects were considered to have: normal geometry (NG) if both LVMI and RWT fell below the mean +/- 1 SD or 2 SD; concentric hypertrophy (CH) if both were elevated; eccentric hypertrophy (EH) if LVMI was elevated and RWT was normal; and concentric remodeling (CR) if LVMI was normal and RWT was elevated. Comparisons were performed by the Student t test. patients with PIH had higher LVMI (106 +/- 29.4 v 90.6 +/- 19.8 g/m(2); P < .05) and RWT (0.41 +/- 0.07 v 0.38 +/- 0.05; P < .05). Considering the mean +/- 1 SD of NPW as the limit of normality the G pattern was NG in 26 (47%) and abnormal in 29 (53%), of which 14 (25.5%) had EH, 11 (20%) had CR, and four (7%) had CH. If we considered the mean +/- 2 SD, the G pattern was NG in 46 (84%) and abnormal G in nine (16%), EH in four (7%), CR in three (5%), and CH in 2 (4%). According to these data, women with PIH had higher LVMI and RWT compared with NPW. The mast frequent abnormal G patterns were EH and CR. Am J Hypertens 2000;13:226-230 (C) 2000 American Journal of Hypertension, Ltd.

  DOI：

  10.1016/s0895-7061(99)00185-5