6-Demethyl-7,7-(ethylenedioxy)-6,7-dihydro-6-methylidenemitosane | 122644-75-1
中文名称
——
中文别名
——
英文名称
6-Demethyl-7,7-(ethylenedioxy)-6,7-dihydro-6-methylidenemitosane
英文别名
[(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-12'-methylidene-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate
CAS
122644-75-1
化学式
C19H21N3O8
mdl
——
分子量
419.391
InChiKey
IWLJRXMUAJTGLF-MECDVEOGSA-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
计算性质
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辛醇/水分配系数(LogP)：-0.5
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重原子数：30
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可旋转键数：4
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环数：5.0
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sp3杂化的碳原子比例：0.58
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拓扑面积：138
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氢给体数：1
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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 —— 7,7-(Ethylenedioxy)-6-(phenylseleno)mitosane —— C25H27N3O8Se 576.465 丝裂霉素 C mitomycin C 50-07-7 C15H18N4O5 334.332 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(hydroxymethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1026734-15-5 C19H23N3O9 437.406 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-12'-nonadecyl-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate —— C37H59N3O8 673.891 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(propoxymethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1025809-42-0 C22H29N3O9 479.487 —— 6-demethyl-7,7-(ethylenedioxy)-6,7-dihydro-6-(methoxymethyl)mitosane —— C20H25N3O9 451.433 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(prop-2-enoxymethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-33-7 C22H27N3O9 477.471 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(propan-2-yloxymethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-27-9 C22H29N3O9 479.487 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1027395-05-6 C26H29N3O9 527.531 —— 1a-Acetyl-6-chloro-7-demethoxy-6-demethyl-7,7-(ethylenedioxy)-6,7-dihydromitomycin A —— C18H20ClN3O8 441.825 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-[(2-hydroxy-6-oxocyclohexen-1-yl)methyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1027887-35-9 C25H29N3O10 531.519 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(2,3-dihydroxypropylsulfanylmethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1027923-48-3 C22H29N3O10S 527.552 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(dodecylsulfanylmethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-30-4 C31H47N3O8S 621.795 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(ethylsulfanylmethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1027202-03-4 C21H27N3O8S 481.527 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(cyclopropylmethylsulfanylmethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-39-3 C23H29N3O8S 507.565 —— 1a-Acetyl-6-bromo-7-demethoxy-6-demethyl-7,7-(ethylenedioxy)-6,7-dihydromitomycin A —— C18H20BrN3O8 486.276 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(prop-2-enylsulfanylmethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1026889-84-8 C22H27N3O8S 493.538 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-10',13'-dioxo-12'-(propan-2-ylsulfanylmethyl)spiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-31-5 C22H29N3O8S 495.554 —— 1a-acetyl-7-demethoxy-6-demethyl-7,7-(ethylenedioxy)-6,7-dihydro-6-<(phenythio)methyl>mitomycin A 129254-32-6 C25H27N3O8S 529.571 —— 1a-Acetyl-6,6-dichloro-7-demethoxy-6-demethyl-7,7-(ethylenedioxy)-6,7-dihydromitomycin A 141936-32-5 C18H19Cl2N3O8 476.27 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-7'-methoxy-12'-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate —— C22H26N6O8S 534.55 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-[(4-chlorophenyl)sulfanylmethyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-36-0 C25H26ClN3O8S 564.016 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-(benzylsulfanylmethyl)-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1026488-07-2 C26H29N3O8S 543.598 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-[(3,4-dimethoxyphenyl)methoxymethyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-28-0 C28H33N3O11 587.584 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-[(4-hydroxyphenyl)sulfanylmethyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 129254-35-9 C25H27N3O9S 545.57 —— [(4'S,6'S,7'R,8'S)-5'-acetyl-12'-[(2-bromophenyl)sulfanylmethyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate 1026052-14-1 C25H26BrN3O8S 608.467