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(R) -DRF053 dihydrochloride

CAT: 0931-T23224Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23224Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1241675-76-2
Target
Others, CDK, Casein Kinase
Related Pathways
Stem Cells, Metabolism, Cell Cycle/Checkpoint, Others
Bioactivity
Cdk/CK1 inhibitor, potent and ATP-competitive
Smiles
CC(C)N1C2=NC(N[C@@H](CO)CC)=NC(NC3=CC(C4=CC=CC=N4)=CC=C3)=C2N=C1.Cl.Cl
Molecular Formula
C23H29Cl2N7O
Molecular Weight
490.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-DRF053 dihydrochloride
CAS Number1241675-76-2
PubChem CID71433624
IUPAC Name(2R)-2-[[9-propan-2-yl-6-(3-pyridin-2-ylanilino)purin-2-yl]amino]butan-1-ol;dihydrochloride
Molecular FormulaC23H29Cl2N7O
Molecular Weight490.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity550
SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC=CC(=C3)C4=CC=CC=N4.Cl.Cl
InChI
InChI=1S/C23H27N7O.2ClH/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19;;/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29);2*1H/t17-;;/m1../s1
InChIKey
BQPRBNGSDBTKAK-ZEECNFPPSA-N
Chemical Structure
2D Structure
2D structure of (R)-DRF053 dihydrochloride
CAS: 1241675-76-2
CID: 71433624
Formula: C23H29Cl2N7O
MW: 490.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass489.1810640
Monoisotopic Mass489.1810640
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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