WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407252
CAS#: 1857417-10-7
Description: MI-538 is a potent and selective MLL inhibitor (Mixed Lineage Leukemia inhibitor). MI-538 demonstrated a pronounced effect in a mouse model of MLL leukemia. MI-538 displayed strong in vitro inhibition of the menin−MLL interaction with IC50 = 21 nM, and the binding affinity to menin (Kd = 6.5 nM). MI-538 showed high potency in inhibiting proliferation of MLL-AF9 transformed cells (GI50 = 83 nM), demonstrating the best cellular activity observed for any menin−MLL inhibitor reported to date.
Hodoodo Cat#: H407252
Name: MI-538
CAS#: 1857417-10-7
Chemical Formula: C27H25F3N8OS
Exact Mass: 566.18
Molecular Weight: 566.607
Elemental Analysis: C, 57.23; H, 4.45; F, 10.06; N, 19.78; O, 2.82; S, 5.66
Synonym: MI-538; MI 538; MI538.
IUPAC/Chemical Name: 1-((1H-pyrazol-4-yl)methyl)-6-hydroxy-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
InChi Key: QXLJOBRSTCFLMC-UHFFFAOYSA-N
InChi Code: InChI=1S/C27H25F3N8OS/c28-27(29,30)9-21-7-22-25(32-15-33-26(22)40-21)36-19-1-3-37(4-2-19)14-18-5-17-6-20(10-31)38(23(17)8-24(18)39)13-16-11-34-35-12-16/h5-8,11-12,15,19,39H,1-4,9,13-14H2,(H,34,35)(H,32,33,36)
SMILES Code: N#CC(N1CC2=CNN=C2)=CC3=C1C=C(O)C(CN4CCC(NC5=C(C=C(CC(F)(F)F)S6)C6=NC=N5)CC4)=C3
Appearance: Solid powder
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: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 566.61 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.
| 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Borkin D, Pollock JW, Kempinska K, Purohit T, Li X, Wen B, Zhao T, Miao H, Shukla S, He M, Sun D, Cierpicki T, Grembecka J. Property focused structure-based optimization of small molecule inhibitors of the protein-protein interaction between menin and Mixed Lineage Leukemia (MLL). J Med Chem. 2016 Jan 8. [Epub head of print] PubMed PMID: 26744767.
