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HDAC6-IN-45

CAT: 0804-HY-161783Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-161783Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HDAC6-IN-45 (Compound 15) is a selective inhibitor for HDAC6 with IC50 of 15.2 nM. HDAC6-IN-45 exhibits neurotrophic through the upregulation of GAP43 and Beta-3 tubulin markers. HDAC6-IN-45 activates the Nrf2 signaling pathway, reduces H2O2-induced ROS production, inhibits apoptosis in PC12, and exhibits neuroprotective efficacy in SCOP-induced zebrafish Alzheimer's Disease models. HDAC6-IN-45 exhibits antioxidant activity and good blood-brain barrier (BBB) permeability[1].
CAS Number
3048532-05-1
UNSPSC
12352005
Target
Apoptosis; HDAC; Keap1-Nrf2; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/hdac6-in-45.html
Smiles
O=C(NO)C(C=C1)=CC=C1CN(CC2)CC3=C2C4=CC(F)=CC=C4N3CC5CC5
Molecular Formula
C23H24FN3O2
Molecular Weight
393.45
References & Citations
[1]Liang T, et al., Multimechanism biological profiling of tetrahydro--carboline analogues as selective HDAC6 inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem. 2024 Jun 24;275:116624.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC2; HDAC3; HDAC6

Chemical Information

Hdac6-IN-45
CAS Number3048532-05-1
PubChem CID172638502
IUPAC Name4-[[9-(cyclopropylmethyl)-6-fluoro-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]methyl]-N-hydroxybenzamide
Molecular FormulaC23H24FN3O2
Molecular Weight393.5
XLogP3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
C1CC1CN2C3=C(CCN(C3)CC4=CC=C(C=C4)C(=O)NO)C5=C2C=CC(=C5)F
InChI
InChI=1S/C23H24FN3O2/c24-18-7-8-21-20(11-18)19-9-10-26(14-22(19)27(21)13-16-1-2-16)12-15-3-5-17(6-4-15)23(28)25-29/h3-8,11,16,29H,1-2,9-10,12-14H2,(H,25,28)
InChIKey
AZOSQQGVKOJXRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6-IN-45
CAS: 3048532-05-1
CID: 172638502
Formula: C23H24FN3O2
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass393.18525518
Monoisotopic Mass393.18525518
Topological Polar Surface Area57.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
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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