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LY2857785

CAT: 1410-M12374-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12374-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LY2857785 is a potenrt, reversible and ATP-competitive CDK9 inhibitor with IC50 of 11 nM, also inhibits CDK8 (IC50=16 nM) and weakly inhibits CSK7 (IC50=246 nM) .
CAS Number
1619903-54-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
448.6036
Molecular Formula
C26H36N6O
Notes
Research use only, not for human use.
Receptor
CDK

Chemical Information

4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
CAS Number1619903-54-6
PubChem CID78357764
IUPAC Name4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
Molecular FormulaC26H36N6O
Molecular Weight448.6
XLogP4.3
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity606
SMILES
CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3)NC4CCC(CC4)NC5CCOCC5
InChI
InChI=1S/C26H36N6O/c1-17(2)25-22-16-18(4-9-24(22)31-32(25)3)23-10-13-27-26(30-23)29-20-7-5-19(6-8-20)28-21-11-14-33-15-12-21/h4,9-10,13,16-17,19-21,28H,5-8,11-12,14-15H2,1-3H3,(H,27,29,30)
InChIKey
LHIUZPIDLZYPRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]-1-N-(oxan-4-yl)cyclohexane-1,4-diamine
CAS: 1619903-54-6
CID: 78357764
Formula: C26H36N6O
MW: 448.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass448.29505979
Monoisotopic Mass448.29505979
Topological Polar Surface Area76.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity606
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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A15823-25LY2857785 25mg
A15823-10LY2857785 10mg
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A15823-50LY2857785 50mg
A15823-2LY2857785 2mg

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