WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H140218
CAS#: 2440018-29-9
Description: Emilumenib, also known as DS-1594, is a highly potent Menin-MLL1 inhibitor with IC50 of 1.4 nM in cell-free AlphaLISA assays, displays selective growth inhibition against AML and ALL cells with MLL1-r or NPM1c. Preliminary data demonstrate differentiation effects of DS-1594b as single agent in both cell lines and primary AML leukemia samples. Combination effects show synthetic lethality in almost all cell lines except OCI-AML3. The combination elicited profound apoptosis in primary leukemia samples.
Hodoodo Cat#: H140218
Name: Emilumenib
CAS#: 2440018-29-9
Chemical Formula: C27H29F3N6O3S
Exact Mass: 574.20
Molecular Weight: 574.623
Elemental Analysis: C, 56.44; H, 5.09; F, 9.92; N, 14.63; O, 8.35; S, 5.58
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Synonym: Emilumenib; DS-1594a; DS1594a; DS 1594a; DS-1594; DS1594; DS 1594;
IUPAC/Chemical Name: (1R,2S,4R)-4-((4-(5,6-dimethoxypyridazin-3-yl)benzyl)amino)-2-(methyl(6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)cyclopentan-1-ol
InChi Key: FFHYBSANKGPTCW-VOQZNFBZSA-N
InChi Code: InChI=1S/C27H29F3N6O3S/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3/t17-,21+,22-/m1/s1
SMILES Code: O[C@]([C@](N(C1=NC=NC2=C1C=C(CC(F)(F)F)S2)C)([H])C3)([H])C[C@]3([H])NCC(C=C4)=CC=C4C5=CC(OC)=C(OC)N=N5
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:
Biological target: | |
In vitro activity: | |
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The following data is based on the product molecular weight 574.62 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: |