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MC1742

CAT: 1410-M34786-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M34786-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC1742 is an inhibitor of class I histone deacetylases (HDACs; IC50s = 0.1, 0.11, 0.02, and 0.61 μM for HDAC1, -2, -3, and -8, respectively) and class IIb HDACs (IC50s = 7 and 40 nM for HDAC6 and HDAC10, respectively) .1 It is selective for class I and class IIb over class IIa HDACs (IC50s = >50 μM for HDAC4, -5, -7, and -9) . MC1742 reduces proliferation of HOS, MG-63, RD, A204, SK-ES-1, and A673 sarcoma cancer stem cells (CSCs) . It increases levels of acetylated histone H3 and acetylated tubulin and induces apoptosis in MG-63 CSCs when used at a concentration of 2 μM. MC1742 also reactivates HIV-1 in JLAT 10.6 latently infected cells (EC50 = 350 nM) .2
CAS Number
1776116-74-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
395.47
Molecular Formula
C21H21N3O3S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

5-[(4-[1,1'-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide
CAS Number1776116-74-5
PubChem CID136173089
IUPAC NameN-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamide
Molecular FormulaC21H21N3O3S
Molecular Weight395.5
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity606
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NO
InChI
InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
InChIKey
AOFVDNFTELWRHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4-[1,1'-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide
CAS: 1776116-74-5
CID: 136173089
Formula: C21H21N3O3S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass395.13036271
Monoisotopic Mass395.13036271
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity606
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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CatalogName
BA3134-50MC1742
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A24055-100MC1742 100mg
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