MedKoo Cat#: 407252 | Name: MI-538

Description:

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

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.

Chemical Structure

MI-538
MI-538
CAS#1857417-10-7

Theoretical Analysis

MedKoo Cat#: 407252

Name: MI-538

CAS#: 1857417-10-7

Chemical Formula: C27H25F3N8OS

Exact Mass: 566.1824

Molecular Weight: 566.61

Elemental Analysis: C, 57.23; H, 4.45; F, 10.06; N, 19.78; O, 2.82; S, 5.66

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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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

Preparing Stock Solutions

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.

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: 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.