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MC1568

CAT: 0804-HY-16914-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16914-02Size:10 mg
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Description
MC1568 is a selective class II (IIa) histone deacetylas (HDAC II) inhibitor, used for cancer research.
CAS Number
852475-26-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MC1568.html
Purity
97.08
Solubility
DMSO : 18.5 mg/mL (ultrasonic; warming)
Smiles
O=C(NO)/C=C/C1=CC=C(/C=C/C(C2=CC=CC(F)=C2)=O)N1C
Molecular Formula
C17H15FN2O3
Molecular Weight
314.31
Precautions
H302, H315, H319, H335
References & Citations
[1]Nebbioso A, et al. Selective class II HDAC inhibitors impair myogenesis by modulating the stability and activity ofHDAC-MEF2 complexes. EMBO Rep. 2009 Jul;10 (7) :776-82.|[2]Venza I, et al. Class II-specific histone deacetylase inhibitors MC1568 and MC1575 suppress IL-8 expression in human melanoma cells. Pigment Cell Melanoma Res. 2013 Mar;26 (2) :193-204.|[3]Nebbioso A, et al. HDACs class II-selective inhibition alters nuclear receptor-dependent differentiation. J Mol Endocrinol. 2010 Oct;45 (4) :219-28.|[4]Kassis H, et al. Class IIa histone deacetylases affect neuronal remodeling and functional outcome after stroke. Neurochem Int. 2016 Jun;96:24-31.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC

Chemical Information

MC1568

3-[4-[3-(3-fluorophenyl)-3-oxoprop-1-enyl]-1-methyl-2-pyrrolyl]-N-hydroxy-2-propenamide is a carbonyl compound.

CAS Number852475-26-4
PubChem CID11381449
IUPAC Name(E)-3-[4-[(E)-3-(3-fluorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
Molecular FormulaC17H15FN2O3
Molecular Weight314.31
XLogP1.8
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity492
SMILES
CN1C=C(C=C1/C=C/C(=O)NO)/C=C/C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C17H15FN2O3/c1-20-11-12(9-15(20)6-8-17(22)19-23)5-7-16(21)13-3-2-4-14(18)10-13/h2-11,23H,1H3,(H,19,22)/b7-5+,8-6+
InChIKey
QRDAPCMJAOQZSU-KQQUZDAGSA-N
Chemical Structure
2D Structure
2D structure of MC1568
CAS: 852475-26-4
CID: 11381449
Formula: C17H15FN2O3
MW: 314.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.31
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass314.10667051
Monoisotopic Mass314.10667051
Topological Polar Surface Area71.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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