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CBP/p300-IN-14

CAT: 0013-GTR19189113Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189113Size:5 mg
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Description
CBP/p300-IN-14 is a potent and selective small molecule inhibitor of the CBP and EP300 lysine acetyltransferases, exhibiting an IC50 of 3.3 nM. This compound is a valuable chemical probe for epigenetic research, enabling the study of transcriptional regulation and protein acetylation in both cellular and in vivo models.
CAS Number
2725036-10-0
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
CNC (=O) c1cc2cc (ccc2c (n1) N1CCCc2cc (-c3cnn (C) c3) c (cc12) C (F) F) N1CCN (C) CC1=O
Molecular Formula
C30H31F2N7O2
Molecular Weight
559.622
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CBP/p300-IN-14
CAS Number2725036-10-0
PubChem CID163198545
IUPAC Name1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6-(4-methyl-2-oxopiperazin-1-yl)isoquinoline-3-carboxamide
Molecular FormulaC30H31F2N7O2
Molecular Weight559.6
XLogP3.9
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity958
SMILES
CNC(=O)C1=NC(=C2C=CC(=CC2=C1)N3CCN(CC3=O)C)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C
InChI
InChI=1S/C30H31F2N7O2/c1-33-30(41)25-13-19-11-21(38-10-9-36(2)17-27(38)40)6-7-22(19)29(35-25)39-8-4-5-18-12-23(20-15-34-37(3)16-20)24(28(31)32)14-26(18)39/h6-7,11-16,28H,4-5,8-10,17H2,1-3H3,(H,33,41)
InChIKey
KCXFRDAUFBFNJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CBP/p300-IN-14
CAS: 2725036-10-0
CID: 163198545
Formula: C30H31F2N7O2
MW: 559.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.6
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass559.25072958
Monoisotopic Mass559.25072958
Topological Polar Surface Area86.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity958
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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