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M122

CAT: 0931-T69884-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69884-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2127411-50-9
Target
Others, HDAC
Related Pathways
Others, Chromatin/Epigenetic, DNA Damage/DNA Repair
Bioactivity
M122 is a selective histone deacetylase HDAC1 and HDAC2 inhibitor and potent antitumor agent.
Smiles
C(SCC1=CC=C(C(NC2=C(N)C=CC=C2)=O)C=C1)(=S)N3CCN(CC3)C=4C=CN=CC4
Molecular Formula
C24H25N5OS2
Molecular Weight
463.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((2-Aminophenyl)carbamoyl)benzyl 4-(pyridin-4-yl)piperazine-1-carbodithioate
CAS Number2127411-50-9
PubChem CID145985400
IUPAC Name[4-[(2-aminophenyl)carbamoyl]phenyl]methyl 4-pyridin-4-ylpiperazine-1-carbodithioate
Molecular FormulaC24H25N5OS2
Molecular Weight463.6
XLogP3.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity614
SMILES
C1CN(CCN1C2=CC=NC=C2)C(=S)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N
InChI
InChI=1S/C24H25N5OS2/c25-21-3-1-2-4-22(21)27-23(30)19-7-5-18(6-8-19)17-32-24(31)29-15-13-28(14-16-29)20-9-11-26-12-10-20/h1-12H,13-17,25H2,(H,27,30)
InChIKey
AZNFBEXFQBFYOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-Aminophenyl)carbamoyl)benzyl 4-(pyridin-4-yl)piperazine-1-carbodithioate
CAS: 2127411-50-9
CID: 145985400
Formula: C24H25N5OS2
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass463.15005279
Monoisotopic Mass463.15005279
Topological Polar Surface Area132 Ų
Heavy Atom Count32
Formal Charge0
Complexity614
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
GTR19210126-01M122

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