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    首页 分子通 [(4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

    [(4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

    分子结构分类

    有机化合物 - 苯丙烷和聚酮 - 蛤蚌毒素、膝沟藻毒素及其衍生物
    中文名称
    ——
    中文别名
    ——
    英文名称
    [(4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
    英文别名
    ——
    [(4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate化学式
    CAS
    ——
    化学式
    C10H17N7O4
    mdl
    ——
    分子量
    299.29
    InChiKey
    RPQXVSUAYFXFJA-HRIHHWCPSA-N
    BEILSTEIN
    ——
    EINECS
    ——
    • 物化性质
    • 计算性质
    • ADMET
    • 安全信息
    • SDS
    • 制备方法与用途
    • 上下游信息
    • 反应信息
    • 文献信息
    • 表征谱图
    • 同类化合物
    • 相关功能分类
    • 相关结构分类

    计算性质

    • 辛醇/水分配系数(LogP)：
      -4.6
    • 重原子数：
      21
    • 可旋转键数：
      3
    • 环数：
      3.0
    • sp3杂化的碳原子比例：
      0.7
    • 拓扑面积：
      185
    • 氢给体数：
      6
    • 氢受体数：
      6

    文献信息

    • Preparative scale conversion of gonyautoxins to neosaxitoxin
      申请人：THE CAWTHRON INSTITUTE TRUST BOARD
      公开号：US10822344B2
      公开（公告）日：2020-11-03
      A method of preparing neosaxitoxin in quantities of a purity sufficient to allow the compound to be used as an active pharmaceutical ingredient (API) is described. The method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4).
      本文介绍了一种制备新沙西托星的方法，其纯度足以使该化合物用作活性药物成分（API）。该方法包括对贡戈毒素 1（GTX1）和贡戈毒素 4（GTX4）的未还原混合物进行还原脱硫。
    • PREPARATIVE SCALE CONVERSION OF GONYAUTOXINS TO NEOSAXITOXIN
      申请人：THE CAWTHRON INSTITUTE TRUST BOARD
      公开号：US20200255441A1
      公开（公告）日：2020-08-13
      A method of preparing neosaxitoxin in quantities of a purity sufficient to allow the compound to be used as an active pharmaceutical ingredient (API) is described. The method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4).
    • [EN] A SEMISYNTHETIC METHOD OF PREPARING NEOSAXITOXIN<br/>[FR] PROCÉDÉ SEMI-SYNTHÉTIQUE DE PRÉPARATION DE NÉOSAXITOXINE
      申请人：THE CAWTHRON INST TRUST BOARD
      公开号：WO2020058750A1
      公开（公告）日：2020-03-26
      A semisynthetic method of preparing neosaxitoxin in quantities of a purity sufficient to allow the compound to be used as an active pharmaceutical ingredient (API) is described. The scalable method includes the reductive desulfonation of an unresolved mixture of gonyautoxin 1 (GTX1) and gonyautoxin 4 (GTX4) isolated from an extract of a culture of Alexandrium pacificum grown to high cell densities in aerated vertical columns of amended sea water.
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    同类化合物

    苯丙腈,b-氟-a-羟基- 膝沟藻毒素4 膝沟藻毒素 VIII 膝沟藻毒素 V 膝沟藻毒素 III 膝沟藻毒素 II 膝沟藻毒素 I 去氨基甲酰石房蛤毒素 原膝沟藻毒素4 二乙酸贝毒素 {2-[(3aS,4R,6Z)-2-氨基-5,10,10-三羟基-6-亚氨基-9-(磺基氧基)-3a,4,5,6-四氢-3H,10H-吡咯并[1,2-c]嘌呤-4-基]-1,1-二羟基乙基}氨基磺酸 (3As,10As)-3Aa,4,9,10-四氢-2,6-二氨基-4a-[[(磺基氨基羰基)氧基]甲基]-1H,8H-吡咯并[1,2-c]嘌呤-9b,10,10-三醇 9-硫酸酯 GTX 3 Atelopidtoxin ((3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methyl (2-aminoethyl)carbamate (3aS,4R,10S,10aR)-tert-butyl 2,6-bis((tert-butoxycarbonyl)imino)-4-((carbamoyloxy)methyl)-10-hydroxyoctahydropyrrolo[1,2-c]purine-1(8H)-carboxylate [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl N-[2-[3-[2,5-dioxo-3-(9-oxodecyl)pyrrol-1-yl]propanoylamino]ethyl]carbamate [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl N-[2-[3-[2,5-dioxo-3-(9-oxodecyl)pyrrolidin-1-yl]propanoylamino]ethyl]carbamate [2,6-diamino-4-[(1-amino-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-en-1-yl)oxymethyl]-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate N-Sulfocarbamoylgonyautoxin 2 decarbamoyl-α-saxitoxinol [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate ditert-butyl (3aS,4R,10S,10aR)-4-[(4-methoxyphenyl)methoxymethyl]-2,6-bis[(2-methylpropan-2-yl)oxycarbonylimino]-3-methylsulfonyl-10-trimethylsilyloxy-4,8,9,10-tetrahydro-3aH-pyrrolo[1,2-c]purine-1,5-dicarboxylate [(3aS,4R,10S,10aS)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl N-(6-aminohexyl)carbamate [(3aS,4R,9S,10R,10aS)-9,10-dihydroxy-6-[(2,2,2-trichloroacetyl)amino]-2-(2,2,2-trichloroethoxysulfonylamino)-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl N-[6-[4-[4-[2-[4-cyano-5-(dicyanomethylidene)-2,2-dimethylfuran-3-yl]ethenyl]-N-methylanilino]butanoylamino]hexyl]carbamate [(3aR,4R,9R,10aR)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [(3aS,4R,9R,10aR)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid [(3aS,4S,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 4-(trifluoromethyl)benzoate 5-[6-[(2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylamino]hexylcarbamoyl]-2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid (2-amino-10,10-dihydroxy-6-pentylimino-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purin-4-yl)methyl N-(6-aminohexyl)carbamate (2,6-diamino-1,9,10-trihydroxy-10-methyl-3a,4,8,9-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl N-(3,4-dimethylpentan-2-yl)carbamate (2,6-diamino-1,10-dihydroxy-10-methyl-3a,4,8,9-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl N-[6-[6-(hexylamino)hexanoylamino]hexyl]carbamate (2,6-diamino-1,10-dihydroxy-10-methyl-3a,4,8,9-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl N-[6-[[6-(7-methyloctylamino)-6-oxohexanoyl]amino]hexyl]carbamate Saxitoxin p-bromobenzenesulfonate [(3aS,4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate alpha-Saxitoxinol (3aS)-2,6-diamino-4-methyl-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol [(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulfate [(3aS,4R,9R)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (2,6-diamino-1,10-dihydroxy-10-methyl-2,3,3a,4,8,9-hexahydropyrrolo[1,2-c]purin-4-yl)methyl N-propan-2-ylcarbamate (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate (2,6-diamino-1-hydroxy-10-methoxy-4,8,9,10-tetrahydro-3aH-pyrrolo[1,2-c]purin-4-yl)methyl N-propan-2-ylcarbamate (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl N-[[4-[4-(4-methylpentan-2-ylcarbamoyl)benzoyl]phenyl]methyl]carbamate [(4R)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate (2,6-Diamino-1,9,10-trihydroxy-10-methyl-3a,4,8,9-tetrahydropyrrolo[1,2-c]purin-4-yl)methyl carbamate gonyautoxin VI (2,6-diamino-10,10-dihydroxy-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-4-yl)methyl carbamate [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

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