Product Name :
MI-538
Description:
MI-538 is an inhibitor of the interaction between menin and MLL fusion proteins with an IC50 of 21 nM.
CAS:
1857417-10-7
Molecular Weight:
566.60
Formula:
C27H25F3N8OS
Chemical Name:
6-hydroxy-1-[(1H-pyrazol-4-yl)methyl]-5-[(4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]aminopiperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Smiles :
N#CC1=CC2=CC(CN3CCC(CC3)NC3=NC=NC4SC(CC(F)(F)F)=CC=43)=C(O)C=C2N1CC1C=NNC=1
InChiKey:
QXLJOBRSTCFLMC-UHFFFAOYSA-N
InChi :
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)
Purity:
≥98% (or refer to the Certificate of Analysis)
Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition :
Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life:
≥12 months if stored properly.
Stock Solution Storage:
0 – 4 oC for 1 month or refer to the Certificate of Analysis.
Additional information:
MI-538 is an inhibitor of the interaction between menin and MLL fusion proteins with an IC50 of 21 nM.|Product information|CAS Number: 1857417-10-7|Molecular Weight: 566.60|Formula: C27H25F3N8OS|Chemical Name: 6-hydroxy-1-[(1H-pyrazol-4-yl)methyl]-5-[(4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]aminopiperidin-1-yl)methyl]-1H-indole-2-carbonitrile|Smiles: N#CC1=CC2=CC(CN3CCC(CC3)NC3=NC=NC4SC(CC(F)(F)F)=CC=43)=C(O)C=C2N1CC1C=NNC=1|InChiKey: QXLJOBRSTCFLMC-UHFFFAOYSA-N|InChi: 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)|Technical Data|Appearance: Solid Power|Purity: ≥98% (or refer to the Certificate of Analysis)|Solubility: DMSO : 100 mg/mL (176.SP187 Dengue virus 49 mM; Need ultrasonic).|Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis|Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.|Shelf Life: ≥12 months if stored properly.|Stock Solution Storage: 0 – 4 oC for 1 month or refer to the Certificate of Analysis.|Drug Formulation: To be determined|HS Tariff Code: 382200|How to use|In Vitro:|MI-538 inhibits the proliferation of MLL leukemia cells with a GI50 of 83 nM. MI-538 shows no effect (up to 6 μM) on growth of the control cell lines HL-60 and HM-2, which do not harbor MLL translocations, demonstrating good selectivity toward MLL fusion protein transformed cells.Dopamine-d3 Neuronal Signaling MI-538 binds to menin with low nanomolar affinity (Kd=6.PMID:32608341 5 nM). Its potent cellular activity originates from the improved binding affinity to menin and possibly increased cell membrane permeability. Treatment with MI-538 results in strong down regulation of expression of Hoxa9 and Meis1 genes. About 100 nM 27 was sufficient to reduce by ~50% Hoxa9 expression in MLL-AF9 cells, and even more pronounced effect was seen on Meis1 expression.|In Vivo:|Treatment with MI-538 results in a pronounced, about 80%, reduction in the MV4;11 tumor volume, without causing substantial signs of toxicity reflected by less than 10% reduction of the body weight. MI-538 demonstrates markedly improved exposure (area under the curve, AUC, values), Cmax (maximum compound concentration) in the blood plasma, and the lowest value of clearance. The half-life of MI-538 is about 1.6 h. MI-538 has also high oral bioavailability (~50%).|Products are for research use only. Not for human use.|