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6K465

CAT: 1568-C03624-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C03624-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2702965-27-1
SKU
C03624-5mg
Target
Aurora Kinase
Applications
Cell Cycle
Additionnal Information
6K465 is a pyrimidine-based inhibitor of Aurora A, that reduces levels of c-MYC and N-MYC oncoproteins. It demonstrates compelling antitumor efficacy.

Chemical Information

(3-chloro-2-fluorophenyl)-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CAS Number2702965-27-1
PubChem CID165036106
IUPAC Name(3-chloro-2-fluorophenyl)-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
Molecular FormulaC26H33ClFN9O
Molecular Weight542.0
XLogP4.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity767
SMILES
CCN1CCN(CC1)C2=NC(=NC(=C2)NC3=NNC(=C3)C)NC4CCN(CC4)C(=O)C5=C(C(=CC=C5)Cl)F
InChI
InChI=1S/C26H33ClFN9O/c1-3-35-11-13-36(14-12-35)23-16-21(30-22-15-17(2)33-34-22)31-26(32-23)29-18-7-9-37(10-8-18)25(38)19-5-4-6-20(27)24(19)28/h4-6,15-16,18H,3,7-14H2,1-2H3,(H3,29,30,31,32,33,34)
InChIKey
NKCRCYYIMDOKFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-chloro-2-fluorophenyl)-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CAS: 2702965-27-1
CID: 165036106
Formula: C26H33ClFN9O
MW: 542.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.0
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass541.2480626
Monoisotopic Mass541.2480626
Topological Polar Surface Area105 Ų
Heavy Atom Count38
Formal Charge0
Complexity767
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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