产品名称

英文名称：Trabectedin

同义词

Trabectedin、Yondelis、Ecteinascidin、ecteinascidin 743、ET-743、114899-77-3、Ecteinascidine 743、Ect 743、ET743、ID0YZQ2TCP、UNII-ID0YZQ2TCP、Ecteinascidins trabectedin、NSC 648766、CCRIS 8133、DTXSID2046880、CHEBI84050、Et 743、NSC-648766、DTXCID0026880、[(1R,2R,3R,11S,1

产品性质

CAS编号：114899-77-3

分子式：C39H43N3O11S

分子量：761.84

PubChem编号：108150

英文别名：Trabectedin|Yondelis|Ecteinascidin|ecteinascidin 743|ET-743|114899-77-3|Ecteinascidine 743|Ect 743|ET743|ID0YZQ2TCP|UNII-ID0YZQ2TCP|Ecteinascidins trabectedin|NSC 648766|CCRIS 8133|DTXSID2046880|CHEBI84050|Et 743|NSC-648766|DTXCID0026880|[(1R,2R,3R,11S,1

英文名称：Trabectedin

生化机理：DescriptionIC50 Value 0.1-3.7 nM(breast cancer cell lines) [1]Trabectedin (Ecteinascidin-743 or ET-743) is a novel antitumour agent of marine origin with potent antitumour activity both in vitro and in vivo.in vitro Trabectedin induced cytotoxicity and apoptosis in both breast cancer cells in a time and concentration-dependent manner. The expression levels of the death receptor pathway molecules, TRAIL-R1/DR4, TRAIL-R2/DR5, FAS/TNFRSF6, TNF RI/TNFRSF1A, and FADD were significantly increased by 2.6-, 3.1-, 1.7-, 11.2- and 4.0-fold by trabectedin treatment in MCF-7 cells. However, in MDA-MB-453 cells, the mitochondrial pathway related pro-apoptotic proteins Bax, Bad, Cytochrome c, Smac/DIABLO, and Cleaved Caspase-3 expressions were induced by 4.2-, 3.6-, 4.8-, 4.5-, and 4.4-fold, and the expression levels of anti-apoptotic proteins Bcl-2 and Bcl-XL were reduced by 4.8- and 5.2-fold in MDA-MB-453 cells [2]. In vitro treatment with noncytotoxic concentrations of trabectedin selectively inhibited the production of CCL2, CXCL8, IL-6, VEGF, and PTX3 by MLS primary tumor cultures and/or cell lines [3].in vivo A xenograft mouse model of human MLS showed marked reduction of CCL2, CXCL8, CD68+ infiltrating macrophages, CD31+ tumor vessels, and partial decrease of PTX3 after trabectedin treatment [3]. The MTD of trabectedin was 700 microg/m(2) due to dose-limiting neutropaenia and the RDs in the previously treated/untreated patients were 500 and 600 microg/m(2), respectively. Most common toxicities were nausea/vomiting (67%), asthenia/fatigue (55%) and reversible ASAT/ALAT elevation (51%) [4].Toxicity Most common toxicities were nausea/vomiting (67%), asthenia/fatigue (55%) and reversible ASAT/ALAT elevation (51%) [4].Clinical trial A Study to Assess the Potential Effects of Rifampin on the Pharmacokinetics of Trabectedin in Patients With Advanced Malignancies. Phase 1/2

储存温度：-20°C储存

运输条件：超低温冰袋运输

ALogP：3.4

IUPAC Name：[(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate

INCHI：InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1

InChi Key：PKVRCIRHQMSYJX-AIFWHQITSA-N

Canonical SMILES：CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

Isomeric SMILES：CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O

PubChem CID：108150

CAS Registry No.：114899-77-3

DrugBank Ligand：DB05109

Wikipedia：Trabectedin

ChEMBL Ligand：CHEMBL450449

ChEBI：CHEBI84050

RCSB PDB Ligand：ECT

DrugCentral Ligand：4633

溶解性：25°C DMSO

象形图：

信号词：Danger

危险声明：H341 Suspected of causing genetic defectsH373 Causes damage to organs through prolonged or repeated exposureH312 Harmful in contact with skinH332 Harmful if inhaledH300 Fatal if swallowedH361 Suspected of damaging fertility or the unborn child

预防措施声明：P261,P280,P302+P352,P321,P405,P501,P264,P260,P281,P271,P270,P304+P340,P362+P364,P330,P203,P301+P316,P318,P317,P319

产品包装