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
1
(Kd <100 nM)
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)
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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