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LY2857785

CAT: 1568-C12740-02Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C12740-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1619903-54-6
SKU
C12740-2mg
Target
CDK
Applications
Cell Cycle
Smiles
CC (C) C1=C2C=C (C=CC2=NN1C) C3=NC (=NC=C3) NC4CCC (CC4) NC5CCOCC5
Molecular Formula
C26H36N6O
Additionnal Information
LY2857785 is a type I reversible and competitive ATP kinase inhibitor against CDK9 (IC50=0.011 μM) and also inhibits other transcription kinases CDK8 (IC50=0.016 μM) and CDK7 (IC50=0.246 μM) .
Storage Conditions
2 years -80 in solvent

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
Loading 3D structure...
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

Alternative Products

CatalogName
UPC90354-01LY2857785
A15823-5LY2857785 5mg
A15823-25LY2857785 25mg
A15823-10LY2857785 10mg
A15823-100LY2857785 100mg
A15823-50LY2857785 50mg
A15823-2LY2857785 2mg
A15823-1LY2857785 1mg
A15823-10mM-DLY2857785 10mM * 1mL in DMSO

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