AS601245 - Small Molecule (ID:10034-101)

HMS LINCS ID: 10034-101
Name: AS601245
Alternative Names: JNK Inhibitor V
LINCS ID: LSM-1034
PubChem CID: 10109823
ChEBI ID:
ChEMBL ID: 191384
Molecular Mass: 372.12
InChi: InChI=1S/C20H16N6S/c21-12-15(19-25-17-5-1-2-6-18(17)27-19)16-8-11-24-20(26-16)23-10-7-14-4-3-9-22-13-14/h1-6,8-9,11,13,15H,7,10H2,(H,23,24,26)
InChi Key: RCYPVQCPYKNSTG-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
2
(equivalent to 100 nM ≤ Kd < 1µM)
MAPK10, MAPK8, MAPK9

Batch Information for HMSL10034-101-3:

HMS LINCS Batch ID: 10034-101-3
Provider: EMD Millipore
Provider Batch ID: D00166235
Salt: 101
Molecular Formula: C20H16N6S
Molecular Weight: 372.5
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-06-17
Most Recent Update: 2016-08-11

HMS QC Testing Events for HMSL10034-101-3:

Date HMS QC Outcome Comment Files
08/31/2015 FAIL HMSL10034-101-3_NMR.pdf,
HMSL10034-101-3_LCMS.pdf