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(R)-DRF053 dihydrochloride

CAT: 0607-B7445-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7445-10Size:10 mg
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Description
cdk/CK1 inhibitor,potent and ATP-competitive
CAS Number
1241675-76-2
Product Name Alternative
(R)-2-((9-isopropyl-6-((3-(pyridin-2-yl)phenyl)amino)-9H-purin-2-yl)amino)butan-1-ol dihydrochloride
Field of Research
Cell Cycle Checkpoint Cyclin-Dependent Kinases
Purity
0.98
Form
Yellow solid
Solubility
<49.04mg/ml in DMSO; <49.04mg/ml in H2O
Smiles
OC[C@@H](CC)NC(N=C12)=NC(NC3=CC=CC(C4=NC=CC=C4)=C3)=C2N=CN1C(C)C.Cl.Cl
Molecular Formula
C23H27N7O·2HCl
Molecular Weight
490.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -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...
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