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XDM-CBP

CAT: 0013-GTR19200189-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200189-03Size:100 mg
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Description
XDM-CBP is a potent and selective small molecule inhibitor targeting the bromodomains of CBP and p300 proteins. It is a valuable chemical probe for epigenetic research, used in vitro and in vivo to study the roles of these acetyl-lysine readers in transcription, cell proliferation, and disease models.
CAS Number
2138461-99-9
Field of Research
Epigenetics & Chromatin
Smiles
C (NC (=O) C1=C (CC) C (C (C) =O) =C (C) N1) C=2C3=C (C=CC2O) C=CC=C3O
Molecular Formula
C21H22N2O4
Molecular Weight
366.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Xdm-cbp
CAS Number2138461-99-9
PubChem CID129318956
IUPAC Name4-acetyl-N-[(2,8-dihydroxynaphthalen-1-yl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
Molecular FormulaC21H22N2O4
Molecular Weight366.4
XLogP3.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity554
SMILES
CCC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=C(C=CC3=C2C(=CC=C3)O)O
InChI
InChI=1S/C21H22N2O4/c1-4-14-18(12(3)24)11(2)23-20(14)21(27)22-10-15-16(25)9-8-13-6-5-7-17(26)19(13)15/h5-9,23,25-26H,4,10H2,1-3H3,(H,22,27)
InChIKey
KCGVENSOXCWCNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xdm-cbp
CAS: 2138461-99-9
CID: 129318956
Formula: C21H22N2O4
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass366.15795719
Monoisotopic Mass366.15795719
Topological Polar Surface Area102 Ų
Heavy Atom Count27
Formal Charge0
Complexity554
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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