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GPX-100

CAT: 0013-GTR19219640-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219640-01Size:1 mg
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Description
GPX-100 (13-deoxydoxorubicin) is a doxorubicin analog and anthracycline antibiotic that acts by intercalating DNA and inhibiting topoisomerase II. This mechanism disrupts DNA replication and repair, making it a tool for studying oncology and chemotherapy in both cellular and animal models.
CAS Number
628290-43-7
Product Name Alternative
13-deoxydoxorubicin
Purity
95.91% (May vary between batches)
Smiles
OC=1C2=C ([C@@H] (O[C@H]3C[C@H] (N) [C@H] (O) [C@H] (C) O3) C[C@@] (CCO) (O) C2) C (O) =C4C1C (=O) C=5C (C4=O) =C (OC) C=CC5
Molecular Formula
C27H31NO10
Molecular Weight
529.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

13-Deoxydoxorubicin

GPX-100 is an anthracycline anticancer drug that belongs to the family of drugs called antitumor antibiotics.

CAS Number628290-43-7
PubChem CID9829419
IUPAC Name(7S,9R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC27H31NO10
Molecular Weight529.5
XLogP2.3
Topological Polar Surface Area189
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity903
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)(CCO)O)N)O
InChI
InChI=1S/C27H31NO10/c1-11-22(30)14(28)8-17(37-11)38-16-10-27(35,6-7-29)9-13-19(16)26(34)21-20(24(13)32)23(31)12-4-3-5-15(36-2)18(12)25(21)33/h3-5,11,14,16-17,22,29-30,32,34-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,22+,27-/m0/s1
InChIKey
RGVRUQHYQSORBY-JIGXQNLBSA-N
Chemical Structure
2D Structure
2D structure of 13-Deoxydoxorubicin
CAS: 628290-43-7
CID: 9829419
Formula: C27H31NO10
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP32.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass529.19479619
Monoisotopic Mass529.19479619
Topological Polar Surface Area189 Ų
Heavy Atom Count38
Formal Charge0
Complexity903
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

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