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CBP/p300 ligand 3

CAT: 0013-GTR19234055-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234055-01Size:25 mg
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Description
CBP/p300 ligand 3 is a specific small molecule modulator that binds the bromodomain or HAT domain of CBP/p300 proteins, inhibiting their acetyltransferase activity and disrupting protein-protein interactions. It is a valuable chemical probe for studying the roles of these epigenetic regulators in cancer, neurodegeneration, and DNA repair in both cellular and animal models.
CAS Number
1936425-34-1
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
O=C (N1CC=2C (=NNC2CC1) N3C=4C=C (C (=CC4CCC3) C=5C=NN (C5) C) C (F) F) C
Molecular Formula
C22H24F2N6O
Molecular Weight
426.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CBP/p300 ligand 3
CAS Number1936425-34-1
PubChem CID121365307
IUPAC Name1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
Molecular FormulaC22H24F2N6O
Molecular Weight426.5
XLogP2.5
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity668
SMILES
CC(=O)N1CCC2=C(C1)C(=NN2)N3CCCC4=CC(=C(C=C43)C(F)F)C5=CN(N=C5)C
InChI
InChI=1S/C22H24F2N6O/c1-13(31)29-7-5-19-18(12-29)22(27-26-19)30-6-3-4-14-8-16(15-10-25-28(2)11-15)17(21(23)24)9-20(14)30/h8-11,21H,3-7,12H2,1-2H3,(H,26,27)
InChIKey
BEKNUZKDQPQQNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CBP/p300 ligand 3
CAS: 1936425-34-1
CID: 121365307
Formula: C22H24F2N6O
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.19796573
Monoisotopic Mass426.19796573
Topological Polar Surface Area70.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity668
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

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