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Naphthablin

CAT: 0931-TN10164-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10164-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
167568-51-6
Target
Bcr-Abl, DNA/RNA Synthesis
Related Pathways
Angiogenesis, Cell Cycle/Checkpoint, Cytoskeletal Signaling, Tyrosine Kinase/Adaptors, DNA Damage/DNA Repair
Bioactivity
Naphthablin is a naphthoquinone compound that inhibits the function of the Abl oncogene. It prevents the morphological transformation of v-ablts-NIH3T3 cells induced by Abl and also suppresses RNA synthesis.
Smiles
O=C1C=2[C@]3([C@@](C(C)(C)OC2C(=O)C=4C1=CC(O)=C(C(C=C)(CO)C)C4O)(C[C@H](OC(C(C)C)=O)[C@H](C)C3)[H])[H]
Molecular Formula
C29H36O8
Molecular Weight
512.591
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Naphthablin

Naphthablin is an organic heterotricyclic compound and an organooxygen compound.

CAS Number167568-51-6
PubChem CID9892627
IUPAC Name[8,10-dihydroxy-9-(1-hydroxy-2-methylbut-3-en-2-yl)-2,5,5-trimethyl-7,12-dioxo-1,2,3,4,4a,12b-hexahydronaphtho[2,3-c]isochromen-3-yl] 2-methylpropanoate
Molecular FormulaC29H36O8
Molecular Weight512.6
XLogP5.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1010
SMILES
CC1CC2C(CC1OC(=O)C(C)C)C(OC3=C2C(=O)C4=CC(=C(C(=C4C3=O)O)C(C)(CO)C=C)O)(C)C
InChI
InChI=1S/C29H36O8/c1-8-29(7,12-30)22-18(31)10-16-20(24(22)33)25(34)26-21(23(16)32)15-9-14(4)19(36-27(35)13(2)3)11-17(15)28(5,6)37-26/h8,10,13-15,17,19,30-31,33H,1,9,11-12H2,2-7H3
InChIKey
NPKRLSYRZGLPCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthablin
CAS: 167568-51-6
CID: 9892627
Formula: C29H36O8
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass512.24101810
Monoisotopic Mass512.24101810
Topological Polar Surface Area130 Ų
Heavy Atom Count37
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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