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YY173

CAT: 0013-GTR19236392-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236392-01Size:25 mg
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Description
YY173 is a potent and selective CDK4/6 inhibitor with IC50 values of 7.7 nM and 88 nM, respectively. It demonstrates anti-proliferative activity in Jurkat cells (IC50 = 1.46 μM) and serves as a key precursor for synthesizing PROTAC-based CDK4/6 degraders for cancer research.
CAS Number
330550-51-1
Field of Research
Cell Biology
Smiles
O=C1C=NC=2C=NC (=NC2N1C3CCCC3) NC4=CC=C (C=C4) N5CCNCC5
Molecular Formula
C21H25N7O
Molecular Weight
391.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Cyclopentyl-2-(4-piperazin-1-ylanilino)pteridin-7-one
CAS Number330550-51-1
PubChem CID9865264
IUPAC Name8-cyclopentyl-2-(4-piperazin-1-ylanilino)pteridin-7-one
Molecular FormulaC21H25N7O
Molecular Weight391.5
XLogP2.1
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity594
SMILES
C1CCC(C1)N2C(=O)C=NC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C21H25N7O/c29-19-14-23-18-13-24-21(26-20(18)28(19)17-3-1-2-4-17)25-15-5-7-16(8-6-15)27-11-9-22-10-12-27/h5-8,13-14,17,22H,1-4,9-12H2,(H,24,25,26)
InChIKey
BYJLIXXRIFPQTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Cyclopentyl-2-(4-piperazin-1-ylanilino)pteridin-7-one
CAS: 330550-51-1
CID: 9865264
Formula: C21H25N7O
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass391.21205845
Monoisotopic Mass391.21205845
Topological Polar Surface Area85.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity594
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
T88647-01YY173

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