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)