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Valrubicin

CAT: 1410-M21670-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M21670-02Size:10 mg
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Description
Valrubicin (AD 32) inhibits TPA- and PDBu-induced PKC activation (IC50s: 0.85 and 1.25 μM) and has antitumor and anti-inflammatory activity.
CAS Number
56124-62-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
723.64
Molecular Formula
C34H32F3NO13
Notes
Research use only, not for human use.
Receptor
PKC

Chemical Information

Valrubicin

Valrubicin is a trifluoroacetamide and an anthracycline.

CAS Number56124-62-0
PubChem CID454216
IUPAC Name[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
Molecular FormulaC34H36F3NO13
Molecular Weight723.6
XLogP4
Topological Polar Surface Area215
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1350
SMILES
CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O
InChI
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
InChIKey
ZOCKGBMQLCSHFP-KQRAQHLDSA-N
Chemical Structure
2D Structure
2D structure of Valrubicin
CAS: 56124-62-0
CID: 454216
Formula: C34H36F3NO13
MW: 723.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight723.6
XLogP34
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass723.21387469
Monoisotopic Mass723.21387469
Topological Polar Surface Area215 Ų
Heavy Atom Count51
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
bs-6808C-01Valrubicin

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