MedKoo Cat#: 128972 | Name: MLK3 Inhibitor
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

MLK3 inhibitor is an inhibitor of mixed-lineage kinase 3 (MLK3; IC50 = <0.001 µM)

Chemical Structure

MLK3 Inhibitor
MLK3 Inhibitor
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128972

Name: MLK3 Inhibitor

CAS#: N/A

Chemical Formula: C20H16F6N4O2S

Exact Mass: 490.0898

Molecular Weight: 490.42

Elemental Analysis: C, 48.98; H, 3.29; F, 23.24; N, 11.42; O, 6.52; S, 6.54

Price and Availability

Size Price Availability Quantity
1mg USD 350.00 2 Weeks
5mg USD 750.00 2 Weeks
10mg USD 1,050.00 2 Weeks
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Related CAS #
No Data
Synonym
MLK3 Inhibitor; Mixed-lineage Kinase 3-IN-1; Mixed-lineage Kinase 3 Inhibitor; Mixed-lineage Kinase 3 Inhibitor 1; MLK3-IN-1; MLK3 Inhibitor 1
IUPAC/Chemical Name
N4-(3-(methylsulfonyl)benzyl)-5-(trifluoromethyl)-N2-(4-(trifluoromethyl)phenyl)pyrimidine-2,4-diamine
InChi Key
WXTXWVIOZYHNDG-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H16F6N4O2S/c1-33(31,32)15-4-2-3-12(9-15)10-27-17-16(20(24,25)26)11-28-18(30-17)29-14-7-5-13(6-8-14)19(21,22)23/h2-9,11H,10H2,1H3,(H2,27,28,29,30)
SMILES Code
CS(C1=CC(CNC2=NC(NC3=CC=C(C(F)(F)F)C=C3)=NC=C2C(F)(F)F)=CC=C1)(=O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 490.42 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Sander, P., Schwalm, M.P., Krämer, A., et al. Design, synthesis, and biochemical evaluation of novel MLK3 inhibitors: A target hopping example. J. Med. Chem. 68(1), 674-694 (2025).