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CPI-455 HCl

CAT: 0957-S8287-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8287-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095432-28-1
Target
Histone Demethylase
Applications
Epigenetics
Smiles
CC (C) C1=C (N=C2C (=CNN2C1=O) C#N) C3=CC=CC=C3.Cl
Molecular Formula
C16H15ClN4O
Additionnal Information
CPI-455 HCl is a specific KDM5 inhibitor with a half-maximal inhibitory concentration (IC50) of 10 ± 1 nM for full-length KDM5A in enzymatic assays, elevating global levels of H3K4 trimethylation (H3K4me3) and decreased the number of DTPs in multiple cancer cell line models treated with standard chemotherapy or targeted agents.
Storage Conditions
2 years -80 in solvent

Chemical Information

CPI-455 hydrochloride
CAS Number2095432-28-1
PubChem CID129896721
IUPAC Name7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
Molecular FormulaC16H15ClN4O
Molecular Weight314.77
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity611
SMILES
CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3.Cl
InChI
InChI=1S/C16H14N4O.ClH/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21;/h3-7,9-10,18H,1-2H3;1H
InChIKey
SNODPNXOTKXHHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CPI-455 hydrochloride
CAS: 2095432-28-1
CID: 129896721
Formula: C16H15ClN4O
MW: 314.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.0934388
Monoisotopic Mass314.0934388
Topological Polar Surface Area68.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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DQC20823-01CPI-455
MBS3841459-01CPI 455
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