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Lillyl 99094 | 59917-39-4

中文名称
——
中文别名
——
英文名称
Lillyl 99094
英文别名
hexane-1,2,3,4,5,6-hexol;methyl 13-(10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid
Lillyl 99094化学式
CAS
59917-39-4
化学式
C49H71N5O17S
mdl
——
分子量
1034.2
InChiKey
YNWLWZCSXNAXCM-UHFFFAOYSA-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

物化性质

  • 熔点:
    >2500C
  • 溶解度:
    去离子水:≥50mg/mL

计算性质

  • 辛醇/水分配系数(LogP):
    -1.51
  • 重原子数:
    72
  • 可旋转键数:
    12
  • 环数:
    9.0
  • sp3杂化的碳原子比例:
    0.63
  • 拓扑面积:
    369
  • 氢给体数:
    13
  • 氢受体数:
    20

安全信息

  • 危险等级:
    6.1(a)
  • 危险品标志:
    Xn
  • 安全说明:
    S26,S36
  • 危险类别码:
    R40
  • WGK Germany:
    3
  • 危险品运输编号:
    UN 1544
  • 海关编码:
    2942000000
  • 包装等级:
    II
  • 危险类别:
    6.1(a)

SDS

SDS:7e7da4a4d684acc4f5ae7f2110a6b78e
查看

制备方法与用途

生物活性

Vindesine硫酸盐(Eldesine、Eldisine、Desacetyl Vinblastine amide、Desacetylvinblastine amide、DAVA、DVA、VDS)是一种从长春花中提取的生物碱,是一种有效的有丝分裂抑制剂,并具有抗肿瘤活性。它通过与有丝分裂纺锤体的微管蛋白结合,导致微管结晶和有丝分裂阻滞或细胞死亡

用途

抗癌药。

一种微管蛋白的抑制剂

同类化合物

长春西醇 长春西碱 长春花胺 长春花碱 长春罗定 长春素 长春磷汀 长春甘酯 长春瑞宾 长春氮芥 长春氟宁酒石酸盐 长春氟宁 长春曲醇酸 长春曲醇 长春新碱 长春匹定硫酸盐 脱水长春碱 脱乙酰基长春碱酰肼 硫酸长春碱 硫酸长春新碱 硫酸长春地辛 硫酸长春地辛 甲酰基-环氧长春碱 二(N-亚乙基长春地辛)二硫醚 O4-去乙酰基-3',4'-二去氢-4'-脱氧-C'-去甲长春花碱 N-去甲基长春碱 N-(O-4-去乙酰基-长春碱-23-酰基)-L-亮氨酸乙酯 N-(4-叠氮基-3-碘水杨酰)-N'-beta-氨基乙基长春地辛 4-去乙酰基长春花碱 3-(((2-((4-叠氮基-2-硝基苯基)氨基)乙基)氨基)羰基)-O4-去乙酰基-3-去(甲氧羰基)-长春花碱 3''-(beta-氯乙基)-2'',4''-二氧代-3,5''-螺恶唑烷-4-去乙酰氧基长春碱 2,5-哌嗪二酮,1,4-二甲基-3-亚甲基- (3'a,4'a)-4'-脱氧-3',4'-环氧-12'-羟基-长春花碱 12'-iodovinblastine 12'-thiomethylvinblastine 20',20'-difluoro-4'-deoxyvinblastine methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[(cyclobutanecarbonylamino)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[[(4-chlorobenzoyl)amino]methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-[[(4-methoxybenzoyl)amino]methyl]-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[(3,3-dimethylbutanoylamino)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[[(4-nitrobenzoyl)amino]methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[(3-methylbutanoylamino)methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-[[(4-fluorobenzoyl)amino]methyl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[(butanoylamino)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[[(3-chlorobenzoyl)amino]methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[(cyclopropanecarbonylamino)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[[(2-chlorobenzoyl)amino]methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-10-[(2,2-dimethylpropanoylamino)methyl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[(propanoylamino)methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate methyl (13S,15R)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-10-[(pyridine-4-carbonylamino)methyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene-13-carboxylate