XL147
N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
Molecular Identity
XL147
N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID: 1893730
XL147 is a sulfonamide that is the N-4-toluenesulfonyl (N-tosyl) derivative of N-(2,1,3-benzothiadiazol-5-yl)quinoxaline-2,3-diamine. A selective PI3K inhibitor used in cancer treatment. It has a role as an antineoplastic agent and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is an aromatic amine, a sulfonamide, a quinoxaline derivative and a benzothiadiazole.
2D Structure
Properties
C21H16N6O2S2
Molecular Formula
448.50
Molecular Weight
g/mol
448.0776
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
146
TPSA
May have limited oral absorption
2
H-Bond Donors
9
H-Bond Acceptors
711
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4Isomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4Synonyms(20)
XL147N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide1033110-57-4CHEBI:71957N-(3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamideRefChem:934334956958-53-5XL147-IIPI3K inhibitor XMFCD16621245N-(3-(benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl)-4-methylbenzenesulfonamideN-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamide,C21H16N6O2S2N-[3-(2,1,3-Benzothiadiazol-5-ylamino)-2-quinoxalinyl]-4-methylbenzenesulfonamideN-[3-(Benzo[c][1,2,5]thiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
Data from PubChem (NCBI)
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Drug Network
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