SML4074
Trabectedin
≥98% (HPLC)
Synonym(s):
(1′R,6R,6aR,7R,13S,14S,16R)-6′,8,14-Trihydroxy-7′,9-dimethoxy-4,10,23-trimethyl-19-oxo-3′,4′,6,7,12,13,14,16-octahydrospiro(6,16-(epithiopropanooxymethano)-7,13-imino-6aH-1,3-dioxolo(7,8)isoquino(3,2-b)(3)benzazocine-20,1′(2′H)-isoquinolin)-5-yl acetate, 1′R,6R,6aR,7R,13S,14S,16R)-5-(Acetyloxy)-3′,4′,6,6a,7,13,14,16-octahydro-6′,8,14-trihydroxy-7′,9-dimethoxy-4,10,23-trimethylspiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1′(2′H)-isoquinolin]-19-one, ET-743, Ecteinascidin 743
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About This Item
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
-10 to -25°C
SMILES string
CC(C1=C2OCO1)=C(OC(C)=O)C3=C2[C@H](CO4)N([C@@H](O)[C@H]5N(C)[C@@H]6C7=C(C5)C=C(C)C(OC)=C7O)C6[C@H]3SC[C@@]8(C4=O)NCCC9=C8C=C(OC)C(O)=C9
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/
InChI key
PKVRCIRHQMSYJX-CXIMGACLSA-N
Biochem/physiol Actions
Trabectedin is an alkylating drug that binds guanine residues in the minor groove of DNA, causing RNA polymerase II arrest, interfering with transcription and DNA repair pathways. It is anti-proliferative, a potent anticancer agent that has been approved to treat advanced soft tissue sarcoma and is being investigated for treatment of multiple other cancers.
signalword
Danger
hcodes
Hazard Classifications
Muta. 1B - Repr. 2 - STOT RE 2 Inhalation
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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