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Asterriquinone

CAT: 0931-TN9103-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9103-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60696-52-8
Target
Reverse Transcriptase, EGFR, HIV Protease
Related Pathways
Microbiology/Virology, JAK/STAT signaling, Proteases/Proteasome, Tyrosine Kinase/Adaptors, Angiogenesis
Bioactivity
Asterriquinone (ARQ) is an analog of Asterriquinone and a Grb-2 binding inhibitor. It hinders the interaction between Grb-2 and tyrosine-phosphorylated EGFR, with an IC50 of 8.37 μM. Additionally, Asterriquinone serves as an HIV1 reverse transcriptase inhibitor, with a Ki of 2.3 μM, and it also inhibits the binding activities of Grb-7 and PLC-γ.
Smiles
O=C1C(O)=C(C(=O)C(O)=C1C2=CN(C=3C=CC=CC23)C(C=C)(C)C)C4=CN(C=5C=CC=CC45)C(C=C)(C)C
Molecular Formula
C32H30N2O4
Molecular Weight
506.592
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asterriquinone

Asterriquinone is a member of dihydroxy-1,4-benzoquinones and a member of asterriquinones.

CAS Number60696-52-8
PubChem CID100329
IUPAC Name2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC32H30N2O4
Molecular Weight506.6
XLogP5.8
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1010
SMILES
CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O
InChI
InChI=1S/C32H30N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27(35)29(37)26(30(38)28(25)36)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18,35,38H,1-2H2,3-6H3
InChIKey
KMHWTYMNRHJTQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asterriquinone
CAS: 60696-52-8
CID: 100329
Formula: C32H30N2O4
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass506.22055744
Monoisotopic Mass506.22055744
Topological Polar Surface Area84.5 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T72133Asterriquinol D dimethyl ether

Alternative Products

CatalogName
HY-N14349Asterriquinone

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