H89 - Small Molecule (ID:10411-102)
HMS LINCS ID: | 10411-102 |
Name: | H89 |
Alternative Names: | |
LINCS ID: | |
PubChem CID: | 5702541 |
ChEBI ID: | |
ChEMBL ID: | |
Molecular Mass: | 445.05 |
InChi: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ |
InChi Key: | ZKZXNDJNWUTGDK-NSCUHMNNSA-N |
SMILES: | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Br |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
RPS6KB1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AKT2, AKT3, PRKACA, PRKACA, PRKACB, PRKACB, PRKACG, PRKAR2A, PRKAR2B, PRKX, ROCK2, RPS6KA5 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | AKT1 |
10 (confirmed non-binding) |
Batch Information for HMSL10411-102-1:
HMS LINCS Batch ID: | 10411-102-1 |
Provider: | MedChem Express |
Provider Batch ID: | 13164 |
Salt: | 102 |
Molecular Formula: | C20H22BrCl2N3O2S |
Molecular Weight: | 519.28 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2015-08-27 |
Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10411-102-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
08/31/2015 | PASS | HMSL10411-102-1_NMR.pdf, HMSL10411-102-1_LCMS.pdf |
(Kd <100 nM)