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ML364

CAT: 0013-GTR19162876-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162876-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, reversible deubiquitinase USP2 inhibitor with IC50 of 1.1 uM in biochemical assay; also inhibits USP8 (IC50=0.95 uM), shows no against caspase 6/7, MMP1, MMP9 and USP15 and a panel of 102 kinase; increases cellular cyclin D1 degradation and causes cell cycle arrest and shows antiproliferative in cancer cell lines; also decreases homologous recombination-mediated DNA repair.
CAS Number
1991986-30-1
Product Name Alternative
ML 364 | ML-364
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 33 mg/mL
Smiles
O=C (NC1=NC (C2=CC=CC=C2) =CS1) C3=CC=C (C (F) (F) F) C=C3NS (=O) (C4=CC=C (C) C=C4) =O
Molecular Formula
C24H18F3N3O3S2
Molecular Weight
517.5432296
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzamide, 2-[[ (4-methylphenyl) sulfonyl]amino]-N- (4-phenyl-2-thiazolyl) -4- (trifluoromethyl) -

Chemical Information

2-[(4-Methylphenyl)sulfonylamino]-n-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CAS Number1991986-30-1
PubChem CID70789348
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
Molecular FormulaC24H18F3N3O3S2
Molecular Weight517.5
XLogP6.1
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity822
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4
InChI
InChI=1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31)
InChIKey
QZUGMNXETPARLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-Methylphenyl)sulfonylamino]-n-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CAS: 1991986-30-1
CID: 70789348
Formula: C24H18F3N3O3S2
MW: 517.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.5
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass517.07416828
Monoisotopic Mass517.07416828
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity822
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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