• CAS号
  • HIT ID
  • 供应商货号
  • SMILES
  • 化合物库

购物车
0
  2. 结构式搜索
  3. HIT219251120
有库存
HIT219251120
 sdf 文件
结构编辑
类似物检索
HIT219251120
  • HIT ID:HIT219251120
  • Cas No:1220637-65-9
  • 常用名:ANG1009
  • IUPAC:(4S)-4-[(2S,3R)-2-[(2S)-6-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-2-{2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-hydroxypropanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]hexanamido]-3-hydroxybutanamido]-4-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
    IUPAC:(4S)-4-[(2S,3R)-2-[(2S)-6-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-2-{2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-(5-{[(2R,4aR,6R,7R,8S,8aS)-6-{[(10S,11R,15R,16R)-16-(4-{[2-(dimethylamino)acetyl]oxy}-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]oxy}-8-hydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]oxy}-5-oxopentanamido)-3-hydroxybutanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-hydroxypropanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]hexanamido]-3-hydroxybutanamido]-4-{[(1S)-3-carboxy-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
  • InChI key:XFDBHMKNWWTEFD-HXXVERCKSA-N
  • 分子式:C218H278N32O79
  • 分子量:4610.767
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:COc1cc(cc(OC)c1OC(=O)CN(C)C)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2OC(=O)CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCCC(=O)O[C@@H]2[C@@H](O)[C@@H]3O[C@H](C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c3cc(OC)c(OC(=O)CN(C)C)c(OC)c3)c3cc4OCOc4cc23)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)O[C@@H]2[C@@H](O)[C@@H]3O[C@H](C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c3cc(OC)c(OC(=O)CN(C)C)c(OC)c3)c3cc4OCOc4cc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c2cc3OCOc3cc12
    SMILES:COc1cc(cc(OC)c1OC(=O)CN(C)C)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2OC(=O)CCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCCC(=O)O[C@@H]2[C@@H](O)[C@@H]3O[C@H](C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c3cc(OC)c(OC(=O)CN(C)C)c(OC)c3)c3cc4OCOc4cc23)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)CCCC(=O)O[C@@H]2[C@@H](O)[C@@H]3O[C@H](C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3COC(=O)[C@@H]3[C@H](c3cc(OC)c(OC(=O)CN(C)C)c(OC)c3)c3cc4OCOc4cc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c2cc3OCOc3cc12
  • ANG1009 是能够高效穿透血脑屏障的抗癌化合物。它对多种肿瘤细胞具有细胞毒性，并能诱导细胞周期阻滞。ANG1009 可用于脑癌研究。
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    纯度
    -
    待询
    1

寻找合适的化合物库

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。
电话：400820-0310
合作：info@screeningcompound.com
技术支持：tech@screeningcompound.com
客服：service@screeningcompound.com
TargetMol | Target Loading
正在加载 ~
常用功能
使用指南化合物搜索在线客服返回顶层