2-Cyaniminoperhydropyrimidin | 36982-81-7

• 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: 2-Cyaniminoperhydropyrimidin
• 英文别名: 2-Cyanimino-hexahydropyrimidin；N-Cyan-2-imino-perhydro-pyrimidin；(1,4,5,6-tetrahydro-pyrimidin-2-yl)-cyanamide；2-cyanoimino-hexahydro-pyrimidine；1,4,5,6-tetrahydropyrimidin-2-ylcyanamide
• CAS: 36982-81-7
• 化学式: C₅H₈N₄
• mdl: MFCD01628334
• 分子量: 124.145
• InChiKey: FQNUERSUODWVRD-UHFFFAOYSA-N

物化性质

• 沸点：
  209.1±23.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  60.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Cyaniminoperhydropyrimidin 在 对甲苯磺酸 作用下， 以 异丙醇 、 甲苯 为溶剂， 生成 N,N,4-trimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a][1,3,5]triazin-2-amine hydrochloride
  参考文献：
  名称：

  [EN] CONDENSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF
  [FR] COMPOSÉ HÉTÉROCYCLIQUE CONDENSÉ, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION MÉDICALE
  [ZH] 稠和杂环类化合物及其制备方法和医药用途

  摘要：

  涉及通式(I)所示的化合物、其制备方法及含有该化合物的药物组合物，及其用于治疗II型糖尿病、糖尿病前期、肥胖、非酒精性脂肪肝、非酒精性脂肪性肝炎和心血管疾病等的用途。其中通式(I)中的各取代基的定义与说明书中的定义相同。

  公开号：

  WO2022152138A1
• 作为产物：
  描述：

  N-cyanoimino-dithiocarbonic acid dimethyl ester 、 1,3-丙二胺 以 丙醇 为溶剂， 反应 2.5h， 以26%的产率得到2-Cyaniminoperhydropyrimidin
  参考文献：
  名称：

  WO2006/111346

  摘要：

  公开号：

文献信息

• Guanidinothiazole derivatives containing alkylene bridges, and their use
  申请人：Bayer Aktiengesellschaft

  公开号：US04581453A1

  公开（公告）日：1986-04-08

  The invention relates to guanidinothiazol derivatives of Formula (I) as defined herein, said compounds being useful for influencing lipid metabolism, as antithombotic agents and as antimycotic agents. Also included in the invention are compositions containing said guanidinothiazol derivatives of Formula (I) and the use of said compounds and compositions for treatment of the above-mentioned conditions. In addition, the invention includes methods for the manufacture of the guanidinothiazole derivatives of Formula (I).

  本发明涉及公式（I）中定义的胍基噻唑衍生物，所述化合物在影响脂质代谢、作为抗血栓剂和抗真菌剂方面有用。本发明还包括含有公式（I）中所述胍基噻唑衍生物的组合物以及使用该化合物和组合物治疗上述疾病的方法。此外，本发明还包括制造公式（I）中的胍基噻唑衍生物的方法。
• Antiulcer agents. 4-Substituted 2-guanidinothiazoles: reversible, competitive, and selective inhibitors of gastric H+,K+-ATPase
  作者：John L. LaMattina、Peter A. McCarthy、Lawrence A. Reiter、William F. Holt、Li An Yeh

  DOI：10.1021/jm00164a012

  日期：1990.2

  A series of 4-substituted 2-guanidinothiazoles has been found to inhibit the gastric proton-pump enzyme H+,K(+)-ATPase. In general, these compounds were reversible inhibitors of canine gastric H+,K(+)-ATPase, competitive at the K+ site, and selective relative to canine renal Na+,K(+)-ATPase. Structure-activity relationship (SAR) studies on this series revealed no general replacement for the guanidinothiazole. On the other hand, use of pyrrolyl, phenyl, and indolyl groups as the C-4 substituent yielded active compounds. Extensive studies of substitution patterns on these 4-aryl groups led to more active compounds, but no consistent SAR became apparent. Monosubstitution of the guanidine and substitution of the thiazole at C-5 both often led to increased activity, but combining these changes generated compounds less active than the parents. Despite 100-fold improvement in in vitro inhibitory potency, only a 3-fold increase in gastric antisecretory activity in rats was observed for these agents.
• Trumm; Sattler; Postius, Arzneimittel-Forschung/Drug Research, 1985, vol. 35, # 3, p. 573 - 577
  作者：Trumm、Sattler、Postius、Szelenyi、Schunack

  DOI：——

  日期：——
• IPPEN, J.;PERZBORN, E.;PULS, W.;SCHALLER, K.;SEUTER, F.
  作者：IPPEN, J.、PERZBORN, E.、PULS, W.、SCHALLER, K.、SEUTER, F.

  DOI：——

  日期：——
• TRUMM, K. -A.;SATTLER, H. -J.;POSTIUS, S.;SZELENYI, I.;SCHUNACK, W., ARZNEIM.-FORSCH., 1985, 35, N 3, 573-577
  作者：TRUMM, K. -A.、SATTLER, H. -J.、POSTIUS, S.、SZELENYI, I.、SCHUNACK, W.

  DOI：——

  日期：——