CAS: 172015-79-1; ((1S,4R)-4-(2-Amino-6-Chloro-9H-Purin-9-yl)Cyclopent-2-En-1-yl)Methanol Hydrochloride

该化合物是一种化合物,其特点是环戊环戊环环,以纯衍生物替代.这一结构表明潜在的生物活动,特别是核酸相互作用,因为纯酸是DNA和RNA的基本组成部分之一.氨基和氯替代成分可能会影响其溶性,再活性和与生物目标的相互作用.作为盐类,它有可能比其自由基质形式更容易溶于水中,从而提高其药物应用的潜力.1S,4R)的命名表明,立体化学学提出了对其生物功能可能至关重要的具体空间安排.

英文名称((1S,4R)-4-(2-Amino-6-Chloro-9H-Purin-9-yl)Cyclopent-2-En-1-yl)Methanol Hydrochloride
中文名称[(1S,4R)-4-(2-氨基-6-氯-9H-嘌呤-9-基)-2-环戊烯]甲醇盐酸盐
IUPAC名称((1S,4R)-4-(2-amino-6-chloro-9H-purin-9-yl)cyclopent-2-en-1-yl)methanol hydrochloride
其它别名(1SC4R)-4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol hydr°Chloride; (1SC4R)-4-(2-氨基-6-氯-9H-嘌呤-9-基)-2-环戊烯-1-甲醇盐酸盐
CAS编号172015-79-1
MFCD编号:MFCD12546177
EINECS号:426-200-1
分子式:C11H13Cl2N5O
分子量:302.17
产品CID: 881848
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: VZJFPECAPXUELG-HHQFNNIRSA-N
InChI=1S/C11H12ClN5O.ClH/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18;/h1-2,5-7,18H,3-4H2,(H2,13,15,16);1H/t6-,7+;/m1./s1…
计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS08 & GHS05;
注释: Exclamation mark & Health hazard & Corrosion
危险类别急性毒性类别4(经口)
特定目标器官毒性-重复接触类别1
严重眼损伤类别1
皮肤致敏类别1
水生慢性毒性类别3
警示词Danger(危险)
危险描述H302 |吞咽有害.
H372 |长期或反复接触损害器官.
H318 |造成严重眼损伤.
H317 |可能引起皮肤过敏反应.
H412 |对水生生物有害并具有长期持续影响.
防范说明P273-P280-P301+P312-P302+P352-P305+P351+P338-P314
UN编号NONH for all modes of transport

欧盟法规

统一分类与标签REACH注册ECHA物质工作场所安全标识要求ECHA物质C&L通报REACH预注册废弃物危险特性清单

上下游产品

(1R,4S)-1-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-4-(hydroxymethyl)-2-cyclopentene (-)-2-azabicyclo[2.2.1]hept-5-en-3-one (1R,4S)-1-amino-4-hydroxymethyl-2-cyclopentene N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide abacavir (1S,4R)-4-[2-amino-6-chloro-9H-purin-9-yl]-2-cyclopentene-1-methanol (1α,4α)-4-(2,6-Diamino-9H-purin-9-yl)-2-cyclopentenyl-carbinol

合成工艺路线路线简述

(-)-文斯内酯置于盐酸,Lithium Aluminium Tetrahydride,三乙胺,原甲酸三乙酯体系中,用四氢呋喃,乙醇,水用作溶剂,化学反应 48.5H,反应生成[(1S,4R)-4-(2-氨基-6-氯-9H-嘌呤-9-基)-2-环戊烯]甲醇盐酸盐
参考文献:An Efficient,Scalable Synthesis Of The Hiv Reverse Transcriptase Inhibitor Ziagen® (1592U89)
标题:An Efficient,Scalable Synthesis Of The Hiv Reverse Transcriptase Inhibitor Ziagen® (1592U89)
摘要:Ziagen(R),(Is,Cis)-4-[2-Amino-6-(Cyclopropylamino)-9H-Purin-9-Yl]-2-Cyclopentene-1-Methanol,Was Synthesized From (Is,4R)-Azabicyclo[2.2.1]Hept-5-En-3-One By Efficient Processes Which Bypass Problematic Steps In Earlier Routes. 2-Amino-4,6-Dichloro-5-Formamidopyrimidine Is A Key Intermediate Which Makes Possible An Efficient Construction Of The Purine From A Chiral Cyclopentenyl Precursor.
Doi:10.1080/15257770008033011

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905121000-正丙醇
2905141000-异丁醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-6646125-B1
优先权日:1997-10-14
标题 :Process for the synthesis of chloropurine intermediates
发明人：JONES MARTIN FRANCIS; WALLIS CHRISTOPHER JOHN
权利人:SMITHKLINE BEECHAM CORP
摘要:The present invention relates to a process for the preparation of a carbocyclic purine nucleoside analogue of formula (I), its salts and pharmaceutically acceptable derivatives thereof which comprises hydrolysing a compound of formula (IV) wherein P is a protecting group, in the presence of an acid, condensing the product of formula (V) formed in situ in the presence of a base with a compound of formula (VI) followed by in situ ring closure of the resulting intermediate.

专利号:WO-9919327-A1
优先权日:1997-10-14
标题 :Process for the synthesis of chloropurine intermediates

专利号:EP-1023292-B1
优先权日:1997-10-14
标题:Process for the synthesis of chloropurine intermediates

专利号:EP-1023292-A1
优先权日:1997-10-14
标题:Process for the synthesis of chloropurine intermediates