An MTHFD2 inhibitor
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DS18561882

Item No. 33860

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[4-[[8-[(3S)-3,4-dimethyl-1-piperazinyl]-1,5-dihydro-7-methyl-5-oxo-2H-[1]benzopyrano[3,4-c]pyridin-3(4H)-yl]carbonyl]-2-(trifluoromethoxy)phenyl]-methanesulfonamide
CAS Number
2227149-22-4
Molecular Formula
C28H31F3N4O6S
Formula Weight
608.6
Purity
≥98%
Formulation
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Soluble: ≥10 mg/mlEthanol: Soluble: ≥10 mg/ml
SMILES
CC1=C2C(C3=C(C(O2)=O)CN(CC3)C(C4=CC(OC(F)(F)F)=C(C=C4)NS(C)(=O)=O)=O)=CC=C1N5C[C@@H](N(CC5)C)C
InChi Code
InChI=1S/C28H31F3N4O6S/c1-16-14-34(12-11-33(16)3)23-8-6-20-19-9-10-35(15-21(19)27(37)40-25(20)17(23)2)26(36)18-5-7-22(32-42(4,38)39)24(13-18)41-28(29,30)31/h5-8,13,16,32H,9-12,14-15H2,1-4H3/t16-/m0/s1
InChi Key
OQKAKSSZSQPTDZ-INIZCTEOSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    1 mg

    $43

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    5 mg

    $97

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    10 mg

    $172

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    25 mg

    $376

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    Cayman Chemical
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    Product Description

    DS18561882 is an inhibitor of methylenetetrahydrofolate dehydrogenase 2 (MTHFD2; IC50 = 0.0063 µM).1 It is selective for MTHFD2 over MTHFD1 (IC50 = 0.57 µM). DS18561882 inhibits the growth of MDA-MB-231 cells (GI50 = 0.14 µM). In vivo, DS18561882 (100 and 300 mg/kg) reduces tumor growth in an MDA-MB-231 mouse xenograft model.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Kawai, J., Toki, T., Ota, M., et al. Discovery of a potent, selective, and orally available MTHFD2 inhibitor (DS18561882) with in vivo antitumor activity. J. Med. Chem. 62(22), 10204-10220 (2019).