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YY173

CAT: 0931-T88647-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88647-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330550-51-1
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
YY173 is a dual inhibitor of CDK4 and CDK6, with IC50 values of 7.7 and 88 nM, respectively. It inhibits the proliferation of Jurkat cells with an IC50 of 1.46 μM. Additionally, YY173 can be utilized in the synthesis of PROTAC CDK4/6 degrader 1.
Smiles
O=C1C=NC=2C=NC(=NC2N1C3CCCC3)NC4=CC=C(C=C4)N5CCNCC5
Molecular Formula
C21H25N7O
Molecular Weight
391.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
GTR19236392-01YY173

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