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HDAC8/BRPF1-IN-1

CAT: 0013-GTR19186442-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186442-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HDAC8/BRPF1-IN-1 (Compound 23a) is a dual inhibitor targeting human HDAC8 (IC50: 443 nM) and BRPF1 (Kd: 67 nM) with selectivity over HDAC1 and HDAC6. This compound serves as a chemical probe for epigenetic research, enabling the study of histone acetylation mechanisms in cancer and neurodevelopmental disease models.
CAS Number
2484255-85-6
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
CN1C=2C (=CC (NS (=O) (=O) C3=C (OC) C=CC (C (NO) =O) =C3) =CC2) C=C (C) C1=O
Molecular Formula
C19H19N3O6S
Molecular Weight
417.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hdac8/brpf1-IN-1
CAS Number2484255-85-6
PubChem CID162667811
IUPAC Name3-[(1,3-dimethyl-2-oxoquinolin-6-yl)sulfamoyl]-N-hydroxy-4-methoxybenzamide
Molecular FormulaC19H19N3O6S
Molecular Weight417.4
XLogP1.2
Topological Polar Surface Area133
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity777
SMILES
CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NO)OC)N(C1=O)C
InChI
InChI=1S/C19H19N3O6S/c1-11-8-13-9-14(5-6-15(13)22(2)19(11)24)21-29(26,27)17-10-12(18(23)20-25)4-7-16(17)28-3/h4-10,21,25H,1-3H3,(H,20,23)
InChIKey
HVHLFMDXTXHXRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac8/brpf1-IN-1
CAS: 2484255-85-6
CID: 162667811
Formula: C19H19N3O6S
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass417.09945651
Monoisotopic Mass417.09945651
Topological Polar Surface Area133 Ų
Heavy Atom Count29
Formal Charge0
Complexity777
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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