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6-氯-8-甲基嘌呤 | 92001-52-0

6-氯-8-甲基嘌呤
6-Chloro-8-methyl-9H-purine
92001-52-0
C6H5ClN4
168.583698987961
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:6-氯-8-甲基嘌呤结构式
6-氯-8-甲基嘌呤价格
名称和标识符
MDL MFCD00234163
InChIKey MZYQXIIORWCBHF-UHFFFAOYSA-N
Inchi 1S/C6H5ClN4/c1-3-10-4-5(7)8-2-9-6(4)11-3/h2H,1H3,(H,8,9,10,11)
SMILES ClC1C2=C(N=C(C)N2)N=CN=1
别名信息
- 中文别名 -
  • 6-氯-8-甲基嘌呤
  • 6-氯-8-甲基-9H-嘌呤
- 英文别名 -
  • 6-Chloro-8-methyl-9H-purine
  • 6-chloro-8-methyl-7H-purine
  • 6-chloro-8-methylpurine
  • 9H-PURINE,6-CHLORO-8-METHYL-
  • 1H-Purine, 6-chloro-8-methyl- (9CI)
  • 6-Chloro-8-methyl-9H-purine (ACI)
  • Purine, 6-chloro-8-methyl- (6CI)
  • NSC 22728
物化性质
实验特性
LogP 1.31470
PSA 54.46000
沸点 261.2°C at 760 mmHg
计算特性
精确分子量 168.02000
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 0
重原子数量 11
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Preparation of purinamine compounds treatment of neurodegenerative and mitochondrial disease
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
High-Yielding Two-Step Synthesis of 6,8-Disubstituted N-9-Unprotected Purines
Ibrahim, Nada; Legraverend, Michel, Journal of Combinatorial Chemistry, 2009, 11(4), 658-666

合成路线:1 步

反应条件:
参考文献:
Dichotomy in regioselective cross-coupling reactions of 6,8-dichloropurines with phenylboronic acid and methylmagnesium chloride: Synthesis of 6,8-disubstituted purines
Hocek, Michal; Hockova, Dana; Dvorakova, Hana, Synthesis, 2004, (6), 889-894

合成路线:1 步

反应条件:
参考文献:
Potential purine antagonists. XIII. Synthesis of some 8-methylpurines
Koppel, Henry C.; Robins, Rolland K., Journal of Organic Chemistry, 1958, 23, 1457-60

合成路线:1 步

反应条件:
参考文献:
Specificity of the 1-methyladenine receptors in starfish oocytes: synthesis and properties of some 1,8-disubstituted adenines, 1,6-dimethyl-1H-purine, and of the 1-(azidobenzyl)adenines
Mornet, Rene; Leonard, Nelson J.; Theiler, Jane B.; Doree, Marcel, Journal of the Chemical Society, 1984, (5), 879-85

合成路线:1 步

反应条件:
参考文献:
Preparation of heterocyclic compounds as selective inhibitors of the p110 delta isoform of PI3K for treating inflammation, immune diseases and cancers
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Design and optimization of purine derivatives as in vivo active PDE10A inhibitors
Chen, Liu; Chen, Danqi; Tang, Le; Ren, Jing; Chen, Jiaojiao ; et al, Bioorganic & Medicinal Chemistry, 2017, 25(13), 3315-3329
相关文献
  • 1. Specificity of the 1-methyladenine receptors in starfish oocytes: synthesis and properties of some 1,8-disubstituted adenines, 1,6-dimethyl-1H-purine, and of the 1-(azidobenzyl)adenines
    René Mornet,Nelson J. Leonard,Jane B. Theiler,Marcel Doree J. Chem. Soc. Perkin Trans. 1 1984 879
  • 2. Clarification of the ring-closure of certain 4,5-diaminopyrimidines to 6-substituted 8-alkylpurines
    Carmen V. Z. Smith,Roland K. Robins,Richard L. Tolman J. Chem. Soc. Perkin Trans. 1 1973 1855
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