S-Ruxolitinib - Small Molecule (ID:10385-101)

HMS LINCS ID: 10385-101
Name: S-Ruxolitinib
Alternative Names:
LINCS ID:
PubChem CID: 50878566
ChEBI ID:
ChEMBL ID:
Molecular Mass: 306.16
InChi: InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
InChi Key: HFNKQEVNSGCOJV-HNNXBMFYSA-N
SMILES: N#CC[C@@H](C1CCCC1)N2C=C(C3=C4C=CNC4=NC=N3)C=N2
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
JAK2, LRRK2, LTK
2
(equivalent to 100 nM ≤ Kd < 1µM)
ALK, CAMK1D, CAMK2A, CLK4, DAPK3, GRK5, JAK3, PRKACA, RET, ROCK1, TNK2
3
(equivalent to 1µM ≤ Kd < 10 µM)
ABL1, ACVR1, AIM1, AURKA, AURKB, BTK, CDK5, CDK7, CDK8, CDK9, CLK2, CSF1R, CSNK1A1, DYRK1A, DYRK1B, FGFR1, FLG, FLT1, FLT3, FYN, GSK3A, GSK3B, IGF1R, IKBKE, KDR, LCK, MAP2K1, MAP2K2, MAP4K2, MAP4K4, MAPK14, MAPK8, MAPK9, MET, MST1R, NTRK1, NTRK2, NTRK3, PAK4, PDGFRA, PDGFRB, PIM1, PRKAA1, PRKCQ, PRKD3, PRKX, PTK2, RPS6KA3, TAOK1, TBK1, TYRO3

Batch Information for HMSL10385-101-1:

HMS LINCS Batch ID: 10385-101-1
Provider: MedChem Express
Provider Batch ID: 11547
Salt: 101
Molecular Formula: C17H18N6
Molecular Weight: 306.37
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10385-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10385-101-1_LCMS.pdf