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LY2857785

CAT: 0013-GTR19166330-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166330-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LY2857785 is a potent, reversible, and competitive ATP-competitive inhibitor targeting CDK7, CDK8, and CDK9 with IC50 values of 246 nM, 16 nM, and 11 nM, respectively. This small molecule is a valuable research tool for studying transcriptional regulation and cell cycle progression in both in vitro and in vivo cancer research models.
CAS Number
1619903-54-6
Product Name Alternative
Inhibitor, inhibit, LY 2857785, LY2857785, LY-2857785, Apoptosis, CDK7, CDK, CDK8, CDK9, Cyclin dependent kinase
Field of Research
Cell Biology
Purity
96.00% (May vary between batches)
Solubility
DMSO:10 mg/mL (22.29 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.23 mM)
Smiles
CC (C) c1n (C) nc2ccc (cc12) -c1ccnc (N[C@H]2CC[C@@H] (CC2) NC2CCOCC2) n1
Molecular Formula
C26H36N6O
Molecular Weight
448.6
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

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

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