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ChemicalBook--->CAS DataBase List--->1217486-61-7

1217486-61-7

1217486-61-7 Structure

1217486-61-7 Structure
IdentificationBack Directory
[Name]

Alpelisib (BYL719)
[CAS]

1217486-61-7
[Synonyms]

CS-614
100803
BLV-719
BYL-719
Alpelisib
BYL-719 /BYL719
Alpelisib (BYL719)
BYL-719(Alpelisib)
ALPELISIB;BYL-719; BYL 719
Alpelisib - NVP-BYL719 | BYL-719
Alpelisib, 98%, a potent and selective PI3Kα inhibitor
(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolid
(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide
(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-Methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxaMide
1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-
(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
BYL-719 (2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide
(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide ISO 9001:2015 REACH
(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide BYL-719
[Molecular Formula]

C19H22F3N5O2S
[MDL Number]

MFCD22417085
[MOL File]

1217486-61-7.mol
[Molecular Weight]

441.47
Chemical PropertiesBack Directory
[density ]

1.391
[storage temp. ]

Store at -20°C
[solubility ]

≥22.07 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
[form ]

White solid.
[pka]

6.29±0.70(Predicted)
[color ]

Off-white to light yellow
[InChIKey]

STUWGJZDJHPWGZ-LBPRGKRZSA-N
[SMILES]

N1(C(NC2=NC(C)=C(C3C=CN=C(C(C)(C)C(F)(F)F)C=3)S2)=O)CCC[C@H]1C(N)=O
Safety DataBack Directory
[HS Code ]

29341000
Hazard InformationBack Directory
[Description]

BYL719 is an inhibitor of phosphoinositide 3-kinase α (PI3Kα; IC50s = 4.6, 4, and 4.8 nM for wild-type, E545K mutant, and H1047R mutant PI3K, respectively). It is selective for PI3Kα over PI3Kβ, PI3Kδ, PI3Kγ, and PI4Kβ (IC50s = 1,156, 290, 250, and 581 nM, respectively), as well as VPS34, mTOR, DNA-PK, and ATR (IC50s = >9,100 nM for all). BYL719 (12.5, 25, and 50 mg/kg) reduces tumor volume in a PI3Kα-dependent Rat1-myr-p110α mouse xenograft model. It also reduces tumor burden in THP-1 acute myeloid leukemia (AML) and MCF-7 breast cancer mouse xenograft models. Formulations containing BYL719 have been used in the treatment of advanced or metastatic breast cancer.
[Uses]

(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide is a newly developed phosphatidylinositol-3-kinase (PI3K) inhibitor and a mTOR inhibit or for the treatment of proliferative diseases.
[Definition]

ChEBI: (2S)-N1-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-thiazolyl]pyrrolidine-1,2-dicarboxamide is a proline derivative.
[Brand name]

Piqray
[General Description]

Class: lipid kinase; Treatment: breast cancer; Other name: NVP-BYL719; Elimination half-life = 13.7 h; Protein binding = 89%
[target]

PI3Kα
[References]

1. furet p, guagnano v, fairhurst ra et al. discovery of nvp-byl719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation. bioorg med chem lett 2013; 23: 3741-3748. 2. azab f, vali s, abraham j et al. pi3kca plays a major role in multiple myeloma and its inhibition with byl719 decreases proliferation, synergizes with other therapies and overcomes stroma-induced resistance. br j haematol 2014; 165: 89-101. 3. juric d, argiles g, burris h et al. phase i study of byl719, an alpha-specific pi3k inhibitor, in patients with pik3ca mutant advanced solid tumors: preliminary efficacy and safety in patients with pik3ca mutant er-positive (er+) metastatic breast cancer (mbc). cancer res 2012; 72: p6-10.
Spectrum DetailBack Directory
[Spectrum Detail]

Alpelisib (BYL719)(1217486-61-7)1HNMR
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