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Chemical structure of Berubicin

GC73235

Berubicin

Also known as (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Berubicin (RTA 744 free base; WP 744) is a 4'-O-benzyldoxorubicin that inhibits P-gp and MRP1-mediated efflux and has anticancer activity

ChemicalCAS677017-23-1MW633.64FormulaC34H35NO11
CAS number
677017-23-1
Molecular weight
633.64
Formula
C34H35NO11
Solubility
DMSO ： 100 mg/mL (157·82 mM; Need ultrasonic)
InChIKey
FIGNGSHKNAHTSH-JJMFXPFOSA-N
Catalogue number
GC73235
Brand
GLPBIO
Computed properties PubChem CID 9874592 · XLogP 3.3 · TPSA 195 Ų · H-bond donors 5
XLogP
3.3
TPSA
195 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
46

SMILES C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OCC6=CC=CC=C6

Computed descriptors from PubChem (CID 9874592), 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
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