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HDAC6-IN-40

CAT: 0804-HY-160846Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160846Size:1 Each
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Description
HDAC6-IN-40 (Compound I-6) is an inhibitor for HDAC6 with IC50 of 0.029 μM[1].
CAS Number
2653254-34-1
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/hdac6-in-40.html
Smiles
O=S(N(CC1=NC=C(C2=NN=C(C(F)F)O2)S1)C3=CC=CN=C3)(CC)=O
Molecular Formula
C14H13F2N5O3S2
Molecular Weight
401.41
References & Citations
[1]MANDEGAR MA, et al., Hdac6 inhibitors for use in the treatment of dilated cardiomyopathy. WO2022226388.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC6

Chemical Information

Hdac6-IN-40
CAS Number2653254-34-1
PubChem CID156507037
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]-N-pyridin-3-ylethanesulfonamide
Molecular FormulaC14H13F2N5O3S2
Molecular Weight401.4
XLogP1.1
Topological Polar Surface Area139
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity565
SMILES
CCS(=O)(=O)N(CC1=NC=C(S1)C2=NN=C(O2)C(F)F)C3=CN=CC=C3
InChI
InChI=1S/C14H13F2N5O3S2/c1-2-26(22,23)21(9-4-3-5-17-6-9)8-11-18-7-10(25-11)13-19-20-14(24-13)12(15)16/h3-7,12H,2,8H2,1H3
InChIKey
IXPMWDFIVFLNRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6-IN-40
CAS: 2653254-34-1
CID: 156507037
Formula: C14H13F2N5O3S2
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass401.04278796
Monoisotopic Mass401.04278796
Topological Polar Surface Area139 Ų
Heavy Atom Count26
Formal Charge0
Complexity565
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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