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PHA-680632

CAT: 1410-M14369-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M14369-04Size:25 mg
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Description
A potent, highly selective Aurora kinase inhibitor with IC50 of 27, 135 and 120 nM for Aurora A, B and C, respectively.
CAS Number
398493-79-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
501.6232
Molecular Formula
C28H35N7O2
Notes
Research use only, not for human use.
Receptor
Aurora A| Aurora B| Aurora C| FGFR1| PLK1

Chemical Information

Pha-680632

Aurora kinase inhibitor with potent antitumoral activity; structure in first source

CAS Number398493-79-3
PubChem CID11249084
IUPAC NameN-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
Molecular FormulaC28H35N7O2
Molecular Weight501.6
XLogP3.2
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity768
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36)
InChIKey
OBWNXGOQPLDDPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pha-680632
CAS: 398493-79-3
CID: 11249084
Formula: C28H35N7O2
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass501.28522338
Monoisotopic Mass501.28522338
Topological Polar Surface Area96.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity768
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

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