Sigma A6730 - Small Molecule (ID:10035-109)

HMS LINCS ID: 10035-109
Name: Sigma A6730
Alternative Names: KIN001-102; AKT inhibitor VIII; Akt1/2 kinase inhibitor
LINCS ID: LSM-1035
PubChem CID: 10196499
ChEBI ID:
ChEMBL ID: 258844
Molecular Mass: 551.24
InChi: InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)
InChi Key: BIWGYFZAEWGBAL-UHFFFAOYSA-N
SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=CC7=C(C=C6N=C5C8=CC=CC=C8)N=CN7
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)
AKT1
2
(equivalent to 100 nM ≤ Kd < 1µM)
AKT2, CAMK1, MYLK
3
(equivalent to 1µM ≤ Kd < 10 µM)
AKT3
10
(confirmed non-binding)
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Batch Information for HMSL10035-109-2:

HMS LINCS Batch ID: 10035-109-2
Provider: Sigma-Aldrich
Provider Batch ID:
Salt: 109
Molecular Formula: C34H29N7O.xC2HF3O2.yH2O
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2012-11-14
Most Recent Update: 2016-12-02