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ML281

CAT: 0013-GTR19160540-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19160540-01Size:1 g
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Description
ML-281 is a potent ans selective STK33 inhibitor (IC50 = 14 nM) . ML281 showed low nanomolar inhibition of purified recombinant STK33 and a distinct selectivity profile as compared to other STK33 inhibitors. ML281 is a valuable addition to small-molecule probes of STK33. v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog (KRAS) is the most mutated oncogene, and KRAS mutations have been found in up to 20% of all human tumors. STK33 was selectively toxic to KRAS-dependent cancer cell lines, suggesting that small-molecule inhibitors of STK33 might selectively target KRAS-dependent cancers.
CAS Number
1404437-62-2
Product Name Alternative
ML-281 | ML-281 | ML281
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 30 mg/mL. 77.03 mM; H2O : < 0.1 mg/mL
Smiles
O=C (c1cccs1) Nc1ccc (C (C) C) cc1c1nc2c (cccc2) [nH]c1=O
Molecular Formula
C22H19N3O2S
Molecular Weight
389.47
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-[2- (3,4-Dihydro-3-oxo-2-quinoxalinyl) -4- (1-methylethyl) phenyl]-2-thiophenecarboxamide

Chemical Information

N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide

N-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]-2-thiophenecarboxamide is an aromatic amide.

CAS Number1404437-62-2
PubChem CID53377448
IUPAC NameN-[2-(3-oxo-4H-quinoxalin-2-yl)-4-propan-2-ylphenyl]thiophene-2-carboxamide
Molecular FormulaC22H19N3O2S
Molecular Weight389.5
XLogP4.3
Topological Polar Surface Area98.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity635
SMILES
CC(C)C1=CC(=C(C=C1)NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4NC3=O
InChI
InChI=1S/C22H19N3O2S/c1-13(2)14-9-10-16(24-21(26)19-8-5-11-28-19)15(12-14)20-22(27)25-18-7-4-3-6-17(18)23-20/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKey
HWOYIOLMBQSTQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-isopropyl-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)thiophene-2-carboxamide
CAS: 1404437-62-2
CID: 53377448
Formula: C22H19N3O2S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass389.11979803
Monoisotopic Mass389.11979803
Topological Polar Surface Area98.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity635
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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