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MC-1568

CAT: 0013-GTR19161450-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19161450-02Size:1 g
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Description
A potent and selective class IIa HDAC inhibitor with IC50 of 220 nM for maize HD1-A; displays 176-fold selectivity over HD1-B; increases the accumulation of acetylated H3 and H4 histones in MCF-7 cells at 20 uM; promotes neurite growth and arbourisation and protects neurite arbours against neurotoxic insult.
CAS Number
852475-26-4
Product Name Alternative
MC1568
Purity
>98% (HPLC)
Solubility
DMSO: 18.5 mg/mL
Smiles
O=C (NO) /C=C/C1=CC=C (/C=C/C (C2=CC=CC (F) =C2) =O) N1C
Molecular Formula
C17H15FN2O3
Molecular Weight
314.311
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Propenamide, 3-[5-[ (1E) -3- (3-fluorophenyl) -3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-, (2E) -

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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