CAS: 524-35-6; 2-Amino-7,9-Dimethyl-9H-Purin-7-Ium-6-Olate

该化合物是一种纯衍生物,具有独特的结构特征;该化合物含有纯环系统,由火药和伊米达佐尔环组成,由双环和伊米达佐尔环组成,结合双循环结构;氨基和基托功能组的存在有助于其再活性和潜在的生物活动;作为内盐,它具有Zwitter化合物的典型特性,在同一个分子中拥有正负电荷,影响其溶性以及与其他物质的相互作用;该化合物经常因其在生物系统中的作用,特别是在核酸和代谢工艺方面所发挥的作用而进行研究;其衍生物可能具有医药,生物化学和分子生物学方面的应用,因此它成为与核糖基及其类类有关的研究的一个主题;

英文名称2-Amino-7,9-Dimethyl-9H-Purin-7-Ium-6-Olate
中文名称7,9-二甲基鸟嘌呤
IUPAC名称2-amino-7,9-dimethyl-9H-purin-7-ium-6-olate
其它别名Herbipoline; 2-Amino-6,9-Dihydro-7,9-Dimethyl-6-Oxo-1H-Purimium, Inner Salt; 2-Ammonium-6,9-Dihydro-7,9-Dimethyl-6-Oxo-1H-Purine; 6-Oxylato-2-Amino-7,9-Dimethyl-9H-Purin-7-Ium; 2-Amino-7,9-Dimethyl-9H-Purin-7-Ium-6-Olate; 2-Amino-7,9-Dimethyl-6-Purin-9-Iumolate; 7,9-Dimethylguanine Usp/ep/bp; 2-Ammonio-6,9-Dihydro-7,9-Dimethyl-6-Oxo-1H-Purinium
CAS编号524-35-6
MFCD编号:MFCD04973658
EINECS号:208-356-0
分子式:C7H9N5O
分子量:179.18
产品CID: 1513694
产品分类生物化工 → 核苷类药物 → 核苷酸及其类似物

相似结构搜索
产品信息参考;;
InChIKey: NAIGKGQHPIGYBB-UHFFFAOYSA-N
InChI=1S/C7H9N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H,1-2H3,(H2-,8,9,10,13)…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数0.0

物理性质

熔点>281°C (分解)
闪点 °C
密度3>g/ cm3
PSA:83.67
LogP:0.1
溶解性DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)
外观形态白色至类白色固体
储存条件2-8°C(避光保存)
产品应用该化合物用于酒精肝病严重程度的评分指标.

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338

上下游产品

CAS号77-78-1 硫酸二甲酯 | CAS号73-40-5 鸟嘌呤

合成工艺路线路线简述

Alkaline Earth Salt Of/the/ Methylsulfuric Acid置于硫酸,Silver Sulfate体系中,化学反应生成 7,9-二甲基鸟嘌呤
参考文献:über Das Herbipolin,Ein Biogenes Amin Aus Dem Riesenkieselschwamm(Geodia Gigas)
标题:über Das Herbipolin,Ein Biogenes Amin Aus Dem Riesenkieselschwamm(Geodia Gigas)
摘要:
DOI:10.1515/bchm2.1957.308.1.270

专利信息

专利号:US-2008194629-A1
优先权日:2005-05-03
标题 :3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors
发明人：BAESCHLIN DANIEL KASPAR; BREITENSTEIN WERNER; EHRHARDT CLAUS; MAIBAUM JUERGEN KLAUS; OSTERMANN NILS; ZIMMERMANN JUERG; RUDISSER SIMON; VANGREVELINGHE ERIC; IRIE OSAMU; UMEMURA ICHIRO; SUZUKI MASAKI; MOGI MUNETO; KANAZAWA TAKANORI; YOKOKAWA FUMIAKI; NIHONYANAGI ATSUKO
权利人:BAESCHLIN DANIEL KASPAR; BREITENSTEIN WERNER; EHRHARDT CLAUS; MAIBAUM JUERGEN KLAUS; OSTERMANN NILS; ZIMMERMANN JUERG; RUDISSER SIMON; VANGREVELINGHE ERIC; IRIE OSAMU; UMEMURA ICHIRO; SUZUKI MASAKI; MOGI MUNETO; KANAZAWA TAKANORI; YOKOKAWA FUMIAKI; NIHONYANAGI ATSUKO
摘要:The invention relates to 3,5-piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,5-piperidine compound, and/or a method of treatment comprising administering a 3,5-piperidine compound, a method for the manufacture of a 3,5-piperidine compound, and novel intermediates and partial steps for their synthesis. Especially, the 3,5-piperidine compounds have the formula I, wherein the symbols have the meanings described in the specification.