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M2N12

CAT: 0931-T11929-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11929-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376577-06-7
Target
Phosphatase, CDK
Related Pathways
Cell Cycle/Checkpoint, Metabolism
Purity
0.987
Bioactivity
M2N12 is a potent and highly selective inhibitor of cell division cycle 25C protein phosphatase (Cdc25C, IC50 = 0.09 μM) and also exhibits anti-tumor activity. Additionally, M2N12 shows promising activity against Cdc25A (IC50 = 0.53 μM) and Cdc25B (IC50 = 1.39 μM) .
Smiles
Cc1ccc(Cn2cc(CNC3=C(Cl)C(=O)c4cccnc4C3=O)nn2)cc1
Molecular Formula
C20H16ClN5O2
Molecular Weight
393.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 139600304
CAS Number2376577-06-7
PubChem CID139600304
IUPAC Name6-chloro-7-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methylamino]quinoline-5,8-dione
Molecular FormulaC20H16ClN5O2
Molecular Weight393.8
XLogP3
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
CC1=CC=C(C=C1)CN2C=C(N=N2)CNC3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl
InChI
InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3
InChIKey
BDBIMDYALUJAPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 139600304
CAS: 2376577-06-7
CID: 139600304
Formula: C20H16ClN5O2
MW: 393.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass393.0992525
Monoisotopic Mass393.0992525
Topological Polar Surface Area89.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
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

Alternative Products

CatalogName
BA3837-1M2N12

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