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BRD4097

CAT: 0804-HY-121315-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121315-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD4097 is an inhibitor of histone deacetylase (HDAC) . BRD4097 acts by inhibiting the activity of HDACs, especially HDAC 1,2 and 3, through metal chelation and spatial rejection mechanisms, and this inhibition may help regulate gene expression and alter chromatin structure, thereby affecting a variety of biological processes. BRD4097 is used to study the role of HDAC in cholesterol metabolism and NPC1 diseases[1].
CAS Number
1550053-19-4
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/brd4097.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(NC(C)=O)C=C1)NC2=CC=C(C)C=C2N
Molecular Formula
C16H17N3O2
Molecular Weight
283.33
References & Citations
[1]Cruz D L, et al. Inhibition of histone deacetylases 1, 2, and 3 enhances clearance of cholesterol accumulation in Niemann-Pick C1 fibroblasts[J]. ACS Pharmacology & Translational Science, 2021, 4 (3) : 1136-1148.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-acetamido-N-(2-amino-4-methylphenyl)benzamide
CAS Number1550053-19-4
PubChem CID73055061
IUPAC Name4-acetamido-N-(2-amino-4-methylphenyl)benzamide
Molecular FormulaC16H17N3O2
Molecular Weight283.32
XLogP1.9
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C)N
InChI
InChI=1S/C16H17N3O2/c1-10-3-8-15(14(17)9-10)19-16(21)12-4-6-13(7-5-12)18-11(2)20/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
HRMBUIZWNJTBSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-acetamido-N-(2-amino-4-methylphenyl)benzamide
CAS: 1550053-19-4
CID: 73055061
Formula: C16H17N3O2
MW: 283.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.32
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass283.132076794
Monoisotopic Mass283.132076794
Topological Polar Surface Area84.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
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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