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MedKoo Cat#: 593183 | Name: MI-3454 HCl

Description:

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

MI-3454 is a highly potent and orally bioavailable inhibitor of the menin-MLL1 interaction. MI-3454 profoundly inhibited proliferation and induced differentiation in acute leukemia cells and primary patient samples with MLL1 translocations or NPM1 mutations. Data provide a strong rationale for clinical translation of MI-3454 or its analogs for leukemia patients with MLL1 rearrangements or NPM1 mutations.

Chemical Structure

MI-3454 HCl
MI-3454 HCl
CAS#MI-3454 HCl

Theoretical Analysis

MedKoo Cat#: 593183

Name: MI-3454 HCl

CAS#: MI-3454 HCl

Chemical Formula: C32H38ClF3N8OS

Exact Mass: 638.2763

Molecular Weight: 675.22

Elemental Analysis: C, 56.92; H, 5.67; Cl, 5.25; F, 8.44; N, 16.60; O, 2.37; S, 4.75

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 #
2134169-43-8 (free base) MI-3454 HCl
Synonym
MI3454; MI-3454; MI 3454; MI-3454 HCl; MI-3454 hydrochloride
IUPAC/Chemical Name
N-(3-((2-cyano-4-methyl-5-((4-((2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)indolin-1-yl)methyl)bicyclo[1.1.1]pentan-1-yl)formamide hydrochloride
InChi Key
MJOQZTPVBWHDCP-UHFFFAOYSA-N
InChi Code
InChI=1S/C32H37F3N8OS.ClH/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27;/h3-4,10,18,21-22H,5-9,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41);1H
SMILES Code
O=CNC1(C2)CC2(CN3C(C#N)CC4=C3C=CC(CN5CCC(NC6=C(C=C(CC(F)(F)F)S7)C7=NC(NC)=N6)CC5)=C4C)C1.[H]Cl
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
Shelf Life
>3 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 675.22 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: Klossowski S, Miao H, Kempinska K, Wu T, Purohit T, Kim E, Linhares BM, Chen D, Jih G, Perkey E, Huang H, He M, Wen B, Wang Y, Yu K, Lee SC, Danet-Desnoyers G, Trotman W, Kandarpa M, Cotton A, Abdel-Wahab O, Lei H, Dou Y, Guzman M, Peterson L, Gruber T, Choi S, Sun D, Ren P, Li LS, Liu Y, Burrows F, Maillard I, Cierpicki T, Grembecka J. Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J Clin Invest. 2020 Feb 3;130(2):981-997. doi: 10.1172/JCI129126. PubMed PMID: 31855575; PubMed Central PMCID: PMC6994154.

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