海鞘素-类似物-1 | 874758-58-4
中文名称
海鞘素-类似物-1
中文别名
——
英文名称
tert-butyl (4R)-4-[(1R,3S)-3-(acetyloxymethyl)-7-methoxy-6-methyl-8-prop-2-enoxy-2-prop-2-enoxycarbonyl-3,4-dihydro-1H-isoquinolin-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
英文别名
——
CAS
874758-58-4
化学式
C31H44N2O9
mdl
——
分子量
588.698
InChiKey
UJXIWGNJNRZJKF-LSQMVHIFSA-N
BEILSTEIN
——
EINECS
——
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：636.3±55.0 °C(Predicted)
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密度：1.147±0.06 g/cm3(Predicted)
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溶解度：溶于二甲基亚砜
计算性质
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辛醇/水分配系数(LogP)：4.5
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重原子数：42
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可旋转键数：13
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环数：3.0
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sp3杂化的碳原子比例：0.58
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拓扑面积：113
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氢给体数：0
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氢受体数：9
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— (1R,3S)-8-Allyloxy-1-((R)-3-tert-butoxycarbonyl-2,2-dimethyl-oxazolidin-4-yl)-3-hydroxymethyl-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid allyl ester 874758-72-2 C29H42N2O8 546.661 —— tert-butyl (R)-4-((1R,3S)-2-((allyloxy)carbonyl)-8-hydroxy-3-(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,2-dimethyloxazolidine-3-carboxylate 874758-71-1 C26H38N2O8 506.596 —— tert-butyl (4R)-4-[(1R,3S)-8-hydroxy-3-(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate 874758-56-2 C22H34N2O6 422.522 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— prop-2-enyl (1R,3S)-3-(acetyloxymethyl)-1-[(1R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate 925451-75-8 C28H40N2O9 548.634 —— prop-2-enyl (1R,3S)-3-(acetyloxymethyl)-7-methoxy-6-methyl-1-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate 925451-70-3 C28H38N2O9 546.618 —— 2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-amino-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)- 874758-59-5 C23H32N2O7 448.516 —— 2(1H)-Isoquinolinecarboxylic acid, 3-[(acetyloxy)methyl]-1-[(1R)-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]-2-hydroxyethyl]-3,4-dihydro-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)- 874758-61-9 C37H48N2O13 728.794 —— prop-2-enyl (1R,3S)-3-(acetyloxymethyl)-1-[(1R,2R)-2-[5-(tert-butyl-ethyl-methylsilyl)oxy-2-hydroxy-4-methoxy-3-methylphenyl]-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate 925451-76-9 C43H64N2O12Si 829.073 —— (1R,3S)-3-Acetoxymethyl-8-allyloxy-1-((R)-2-(tert-butyl-dimethyl-silanyloxy)-1-{[(R)-ethoxycarbonyl-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-methyl]-amino}-ethyl)-7-methoxy-6-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid allyl ester 874758-73-3 C43H62N2O13Si 843.056 —— 2(1H)-Isoquinolinecarboxylic acid, 1-[(1R)-2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-[[(1R)-2-ethoxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-2-oxoethyl]amino]ethyl]-3,4-dihydro-3-(hydroxymethyl)-7-methoxy-6-methyl-8-(2-propenyloxy)-, 2-propenyl ester, (1R,3S)- 874758-63-1 C41H60N2O12Si 801.019 —— (1R,9S,10R,12R)-11-[(R)-2-Acetoxy-1-(6-methoxymethoxy-7-methyl-benzo[1,3]dioxol-4-yl)-ethyl]-3-allyloxy-10-cyano-12-hydroxymethyl-4-methoxy-5-methyl-11,13-diaza-tricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylic acid allyl ester 874758-78-8 C36H43N3O11 693.751 —— prop-2-enyl (1R,2R,6R,8R,9S)-8-cyano-14-methoxy-6-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-13-methyl-5-oxo-15-prop-2-enoxy-4-oxa-7,17-diazatetracyclo[7.7.1.02,7.011,16]heptadeca-11(16),12,14-triene-17-carboxylate 874758-74-4 C34H37N3O10 647.682 —— 1,5-Imino-3-benzazocine-11-carboxylic acid, 4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-3-[(1R)-2-hydroxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-9-methoxy-8-methyl-10-(2-propenyloxy)-, 2-propenyl ester, (1R,2R,4R,5S)- 874758-76-6 C40H55N3O10Si 765.976 —— prop-2-enyl (1R,3S)-1-[(1R,2R)-1-amino-2-[5-hydroxy-4-methoxy-2-(methoxymethoxy)-3-methylphenyl]-2-(methoxymethoxy)ethyl]-3-(hydroxymethyl)-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate 925451-77-0 C33H46N2O11 646.735 —— 1,5-Imino-3-benzazocine-11-carboxylic acid, 3-[(1R)-2-(acetyloxy)-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,2,3,4,5,6-hexahydro-9-methoxy-8-methyl-10-(2-propenyloxy)-, 2-propenyl ester, (1R,2R,4R,5S)- 874758-65-3 C42H57N3O11Si 808.014 —— 1,5-Imino-3-benzazocine-3(2H)-acetic acid, 4-cyano-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,4,5,6-tetrahydro-9-methoxy-|A-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]-8-methyl-10-(2-propenyloxy)-11-[(2-propenyloxy)carbonyl]-, ethyl ester, (|AR,1R,2R,4R,5S)- 874758-64-2 C42H57N3O11Si 808.014 —— prop-2-enyl (1R,9S,10R,12R)-11-[(1R)-2-acetyloxy-1-[6-(methoxymethoxy)-7-methyl-1,3-benzodioxol-4-yl]ethyl]-10-cyano-12-formyl-4-methoxy-5-methyl-3-prop-2-enoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate 874758-66-4 C36H41N3O11 691.735 —— prop-2-enyl (1R,3S)-1-[(1R,3R,4R)-8-hydroxy-7-methoxy-4,5-bis(methoxymethoxy)-6-methyl-1-(2,2,2-trichloroethoxycarbonyloxymethyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(hydroxymethyl)-7-methoxy-6-methyl-8-prop-2-enoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate 925451-79-2 C38H49Cl3N2O14 864.171 —— 7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy-16-(hydroxymethyl)-9-methoxy-4,10-dimethyl-8-(2-propenyloxy)-, 2-propenyl ester, (6S,6aR,7R,13S,14R,16R)- 874758-68-6 C32H35N3O9 605.645 —— allyl (6S,7R,9R,14R,14aR,15R)-1-(allyloxy)-7-cyano-10-hydroxy-9-(hydroxymethyl)-2,11-dimethoxy-13,14-bis(methoxymethoxy)-3,12-dimethyl-6,7,9,14,14a,15-hexahydro-5H-6,15-epiminobenzo[4,5]azocino[1,2-b]isoquinoline-16-carboxylate 925451-95-2 C36H45N3O11 695.767 —— allyl (6S,7R,9R,14R,14aR,15R)-1,10-bis(allyloxy)-7-cyano-9-(hydroxymethyl)-2,11-dimethoxy-13,14-bis(methoxymethoxy)-3,12-dimethyl-6,7,9,14,14a,15-hexahydro-5H-6,15-epiminobenzo[4,5]azocino[1,2-b]isoquinoline-16-carboxylate 925451-84-9 C39H49N3O11 735.832 —— 7,13-Imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-17-carboxylic acid, 16-[(acetyloxy)methyl]-14-cyano-6,6a,7,13,14,16-hexahydro-5,6-dihydroxy