Alpelisib - Small Molecule (ID:10233-101)

HMS LINCS ID: 10233-101
Name: Alpelisib
Alternative Names: BYL719
LINCS ID: LSM-4256
PubChem CID: 56649450
ChEBI ID:
ChEMBL ID:
Molecular Mass: 441.14
InChi: InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1
InChi Key: STUWGJZDJHPWGZ-LBPRGKRZSA-N
SMILES: CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-07-12

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
PIK3CA
2
(equivalent to 100 nM ≤ Kd < 1µM)
PIK3CB, PIK3CD, PIK3CG
3
(equivalent to 1µM ≤ Kd < 10 µM)
ATR, MTOR, PIK3C3, Pik3cb, PRKDC
10
(confirmed non-binding)
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Batch Information for HMSL10233-101-2:

HMS LINCS Batch ID: 10233-101-2
Provider: MedChem Express
Provider Batch ID: 06192
Salt: 101
Molecular Formula: C19H22F3N5O2S
Molecular Weight: 441.47
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-06-17
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10233-101-2:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10233-101-2_LCMS.pdf