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HDAC6-IN-34

CAT: 0804-HY-163368Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163368Size:1 Each
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Description
HDAC6-IN-34 (compound 21) is an oral active and selective HDAC6 inhibitor with the IC50 of 18 nM. HDAC6-IN-34 increases the acetylation level of tubulin without affecting histone acetylation in cutaneous T-cell lymphoma cells and inhibits TNF-α secretion in LPS -stimulated macrophage cells. HDAC6-IN-34 shows excellent anti-arthritic efficacy in rat[1].
CAS Number
1432508-73-0
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
COVID-19-anti-virus
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hdac6-in-34.html
Solubility
10 mM in DMSO
Smiles
CC1(CC(C2=C(N(N=C2C(F)(F)F)CC3=CC=C(C=C3)C(NO)=O)C1)=O)C
Molecular Formula
C18H18F3N3O3
Molecular Weight
381.35
References & Citations
[1]Yang HM, et al. Development of a tetrahydroindazolone-based HDAC6 inhibitor with in-vivo anti-arthritic activity. Bioorg Med Chem. 2024 Feb 1;99:117587.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC6

Chemical Information

Hdac6-IN-34
CAS Number1432508-73-0
PubChem CID71526388
IUPAC Name4-[[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]methyl]-N-hydroxybenzamide
Molecular FormulaC18H18F3N3O3
Molecular Weight381.3
XLogP2.5
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity588
SMILES
CC1(CC2=C(C(=O)C1)C(=NN2CC3=CC=C(C=C3)C(=O)NO)C(F)(F)F)C
InChI
InChI=1S/C18H18F3N3O3/c1-17(2)7-12-14(13(25)8-17)15(18(19,20)21)22-24(12)9-10-3-5-11(6-4-10)16(26)23-27/h3-6,27H,7-9H2,1-2H3,(H,23,26)
InChIKey
AUEDMSVXWKXTGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6-IN-34
CAS: 1432508-73-0
CID: 71526388
Formula: C18H18F3N3O3
MW: 381.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.3
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass381.13002593
Monoisotopic Mass381.13002593
Topological Polar Surface Area84.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity588
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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