Name: Mal-PEG2-VCP-Eribulin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667952
Cas No:2130869-18-8
常用名:Mal-PEG2-VCP-Eribulin
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)-3-methylbutanamido]pentanamido]phenyl}methyl N-[(2S)-2-hydroxy-3-[(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-21-methoxy-14-methyl-8,15-dimethylidene-24-oxo-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1^{3,32}.1^{3,33}.1^{6,9}.1^{12,16}.0^{18,22}.0^{29,36}.0^{31,35}]hentetracontan-20-yl]propyl]carbamate
IUPAC:{4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-(3-{2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}propanamido)-3-methylbutanamido]pentanamido]phenyl}methyl N-[(2S)-2-hydroxy-3-[(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-21-methoxy-14-methyl-8,15-dimethylidene-24-oxo-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1^{3,32}.1^{3,33}.1^{6,9}.1^{12,16}.0^{18,22}.0^{29,36}.0^{31,35}]hentetracontan-20-yl]propyl]carbamate
InChI key:ODAGJGZILCZEBN-YFXPNIGTSA-N

分子式:C70H99N7O21
分子量:1374.59
氢键供体数 (HBD):7
氢键受体数 (HBA):20
LogP:1.8635521
SMILES:[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CNC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCN6C(=O)C=CC6=O)C(C)C)cc5)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@@]7([H])O[C@@]8(C[C@@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2 |c:65,TLB:105:102:94:97.96,105:102:97.99:90,99:100:104.95.94.92:105.89.87,89:90:94:97.96,THB:99:100:94:97.96,89:90:102.104.95.94:97.99,96:95:97.99:90,96:97:102.104.95.94:90,108:95:97.99:90|
SMILES:[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CNC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCN6C(=O)C=CC6=O)C(C)C)cc5)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@@]7([H])O[C@@]8(C[C@@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2 |c:65,TLB:105:102:94:97.96,105:102:97.99:90,99:100:104.95.94.92:105.89.87,89:90:94:97.96,THB:99:100:94:97.96,89:90:102.104.95.94:97.99,96:95:97.99:90,96:97:102.104.95.94:90,108:95:97.99:90|

Mal-PEG2-VCP-Eribulin is a chemotherapeutic compound comprising an antibody-drug conjugate (ADC) linker (Mal-PEG2-VCP) and the microtubule inhibitor Eribulin[1]. This compound uniquely targets microtubules, offering a novel approach to cancer treatment. Eribulin is specifically utilized in creating targeted Eribulin-based drugs for antibody conjugates[1].

市场产品/服务共显示1个结果

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

正在加载 ~