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MPT0G211 (mesylate)

CAT: 0804-HY-123976ASize: 1 EachDry Ice: NoHazardous: No
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Description
MPT0G211 mesylate is a potent, orally active and selective HDAC6 inhibitor (IC50=0.291 nM) . MPT0G211 mesylate displays >1000-fold selective for HDAC6 over other HDAC isoforms. MPT0G211 mesylate can penetrate the blood-brain barrier. MPT0G211 mesylate ameliorates tau phosphorylation and cognitive deficits in an Alzheimer’s disease model. MPT0G211 mesylate has anti-metastatic and neuroprotective effects. Anticancer activities[1][2][3].
CAS Number
2151854-33-8
UNSPSC
12352005
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mpt0g211-mesylate.html
Solubility
10 mM in DMSO
Smiles
CS(=O)(O)=O.O=C(NO)C1=CC=C(CNC2=C3N=CC=CC3=CC=C2)C=C1
Molecular Formula
C18H19N3O5S
Molecular Weight
389.43
References & Citations
[1]Fan SJ, et al. The novel histone de acetylase 6 inhibitor, MPT0G211, ameliorates tau phosphorylation and cognitive deficits in an Alzheimer's disease model. Cell Death Dis. 2018;9 (6) :655. Published 2018 May 29.|[2]Hsieh YL, et al. Anti-metastatic activity of MPT0G211, a novel HDAC6 inhibitor, in human breast cancer cells in vitro and in vivo. Biochim Biophys Acta Mol Cell Res. 2019;1866 (6) :992-1003.|[3]Tu HJ, et al. The anticancer effects of MPT0G211, a novel HDAC6 inhibitor, combined with chemotherapeutic agents in human acute leukemia cells. Clin Epigenetics. 2018;10 (1) :162. Published 2018 Dec 29.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC6

Chemical Information

MPT0G211 mesylate
CAS Number2151854-33-8
PubChem CID139488510
IUPAC NameN-hydroxy-4-[(quinolin-8-ylamino)methyl]benzamide;methanesulfonic acid
Molecular FormulaC18H19N3O5S
Molecular Weight389.4
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity461
SMILES
CS(=O)(=O)O.C1=CC2=C(C(=C1)NCC3=CC=C(C=C3)C(=O)NO)N=CC=C2
InChI
InChI=1S/C17H15N3O2.CH4O3S/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15;1-5(2,3)4/h1-10,19,22H,11H2,(H,20,21);1H3,(H,2,3,4)
InChIKey
PRIVCNWCWYRYNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MPT0G211 mesylate
CAS: 2151854-33-8
CID: 139488510
Formula: C18H19N3O5S
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass389.10454189
Monoisotopic Mass389.10454189
Topological Polar Surface Area137 Ų
Heavy Atom Count27
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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