An inhibitor of MLLT1 and MLLT3
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NVS-MLLT-1

Item No. 41318

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[2-[[(2S)-2-methyl-1-pyrrolidinyl]methyl]-1H-benzimidazol-6-yl]-6-isoquinolinecarboxamide
CAS Number
2561471-13-2
Molecular Formula
C23H23N5O
Formula Weight
385.5
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Sparingly soluble: 1-10 mg/mlMethanol: Slightly soluble: 0.1-1 mg/ml
SMILES
O=C(NC1=CC=C2N=C(CN3[C@@H](C)CCC3)NC2=C1)C(C=C4)=CC5=C4C=NC=C5
InChi Code
InChI=1S/C23H23N5O/c1-15-3-2-10-28(15)14-22-26-20-7-6-19(12-21(20)27-22)25-23(29)17-4-5-18-13-24-9-8-16(18)11-17/h4-9,11-13,15H,2-3,10,14H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
InChi Key
ZRTFTZCKJUNZIU-HNNXBMFYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    1 mg

    $29

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    5 mg

    $115

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    10 mg

    $158

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    Product Description

    NVS-MLLT-1 is an inhibitor of the YEATS domain-containing proteins MLLT1 and MLLT3 (IC50s = 0.15 and 0.254 µM, respectively).1 It is selective for MLLT1 and MLLT3 over the YEATS domain-containing proteins YEATS2 and YEATS4 (IC50s = >20 µM for both), as well as over the cat eye syndrome critical region protein 2 (CECR2) bromodomain (IC50 = >40 µM). NVS-MLLT-1 binds to wild-type MLLT1 (IC50 = 0.18 µM) and MLLT1 containing an in-frame insertion (T1 mutant) or deletion (T2 mutant) mutation (Kds = 0.24 and 0.22 µM, respectively).2 See the Structural Genomics Consortium (SGC) website for more information.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1.  NVS-MLLT-1 a potent and selective inhibitor of YEATS proteins.

    2. Ni, X., Londregan, A.T., Owen, D.R., et al. Structure and inhibitor binding characterization of oncogenic MLLT1 mutants. ACS Chem. Biol. 16(4), 571-578 (2021).