| Identification | Back Directory | [Name]
SGC-iMLLT | [CAS]
2255338-25-9 | [Synonyms]
SGC-iMLLT
1H-Indazole-5-carboxamide, 1-methyl-N-[2-[[(2S)-2-methyl-1-pyrrolidinyl]methyl]-1H-benzimidazol-6-yl]- | [Molecular Formula]
C22H24N6O | [MOL File]
2255338-25-9.mol | [Molecular Weight]
388.47 |
| Chemical Properties | Back Directory | [Boiling point ]
575.5±35.0 °C(Predicted) | [density ]
1.38±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: soluble | [form ]
A crystalline solid | [pka]
15.53±0.43(Predicted) | [color ]
Light yellow to yellow | [InChIKey]
QGNDVASWIHEXCL-AWEZNQCLSA-N | [SMILES]
O=C(C1=CC2=C(N(C)N=C2)C=C1)NC3=CC=C4NC(CN5[C@@H](C)CCC5)=NC4=C3 |
| Hazard Information | Back Directory | [Uses]
SGC-iMLLT is a first-in-class chemical probe and a potent, selective inhibitor of MLLT1/3-histone interactions with an IC50 of 0.26 μM. SGC-iMLLT shows high binding activity towards MLLT1 YEATS domain (YD) and MLLT3 YD (AF9/YEATS3) with Kds of 0.129 and 0.077 μM, respectively[1]. | [Biological Activity]
SGC-iMLLT (Chemical Probe 92) is a cell penetrantpotent and selective inhibitor of YEATS domain MLLT1/3 histone interaction. SGC-iMLLT downregulates MYC and DDN geneswhile increases CD86 in MV4;11 AML cells. | [in vivo]
SGC-iMLLT shows moderate metabolic resistance with t1/2 of 53 min and 48 % remaining after 60 min, and the primary process for metabolism is N demethylation[1]. | [storage]
Store at -20°C | [References]
[1] Moustakim M, et al. Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Angew Chem Int Ed Engl. 2018 Dec 10;57(50):16302-16307. DOI:10.1002/anie.201810617 |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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