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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18Cl2N8.3ClH
Molecular Weight 574.721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LADUVIGLUSIB TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.CC1=CNC(=N1)C2=CN=C(NCCNC3=NC=C(C=C3)C#N)N=C2C4=CC=C(Cl)C=C4Cl

InChI

InChIKey=DSFVSCNMMZRCIA-UHFFFAOYSA-N
InChI=1S/C22H18Cl2N8.3ClH/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19;;;/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32);3*1H

HIDE SMILES / InChI

Description

CHIR 99021 is a selective, pyridimidine-based, glycogen synthase kinase 3 inhibitor that is effective at low nanomolar concentrations in enzyme assays and submicromolar concentrations in isolated cells and tissues. Chiron was developing CHIR 99021 for potential use in the treatment of type 2 diabetes mellitus. CHIR 99021 promoted insulin-mediated glucose uptake and increased glucose disposal in rodent models of diabetes. However, there has been no recent development reported.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
10.0 nM [IC50]
6.7 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
In ZDF rats, a single oral dose 30 mg/kg of CHIR 99021 rapidly lowered plasma glucose.
Route of Administration: Oral
In Vitro Use Guide
rostral (r2–3) hindbrain hindbrain neural stem cells are efficiently specified by 1.4 µM CHIR99021