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Chemical structure of Trabectedin

GC18044

Trabectedin

Also known as [(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

Trabectedin is a tetrahydroisoquinoline alkaloid with potent antitumor activity· Trabectedin can selectively inhibit transcription factors associated with DNA damage repair and block the DNA nucleotide excision repair pathway, leading to DNA double-strand breaks and tumor cell apoptosis· Trabectedin can also regulate the tumor microenvironment and indirectly exert antitumor effects by inhibiting the activity of tumor-associated macrophages· Trabectedin is often used in the study of soft tissue sarcoma and ovarian cancer

ChemicalCAS114899-77-3MW761.84FormulaC39H43N3O11S
CAS number
114899-77-3
Molecular weight
761.84
Formula
C39H43N3O11S
Solubility
DMSO ： 33·33 mg/mL (43·75 mM; Need ultrasonic)
InChIKey
PKVRCIRHQMSYJX-AIFWHQITSA-N
Catalogue number
GC18044
Brand
GLPBIO
Computed properties PubChem CID 108150 · XLogP 3.4 · TPSA 194 Ų · H-bond donors 4
XLogP
3.4
TPSA
194 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
4
Heavy atoms
54

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

Computed descriptors from PubChem (CID 108150), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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