An inhibitor of SARS-CoV Mpro
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ML-188

Item No. 37346

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(αR)-N-(1,1-dimethylethyl)-α-[[4-(1,1-dimethylethyl)phenyl](2-furanylcarbonyl)amino]-3-pyridineacetamide
CAS Number
1417700-13-0
Molecular Formula
C26H31N3O3
Formula Weight
433.5
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/ml
λmax
262 nm
SMILES
O=C(C1=CC=CO1)N(C2=CC=C(C=C2)C(C)(C)C)[C@H](C3=CN=CC=C3)C(NC(C)(C)C)=O
InChi Code
InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
InChi Key
JXGIYKRRPGCLFV-JOCHJYFZSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

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    Product Description

    ML-188 is an inhibitor of severe acute respiratory coronavirus (SARS-CoV) main protease (Mpro), also known as 3C-like protease (3CLpro; IC50 = 1.5 µM).1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Jacobs, J., Grum-Tokars, V., Zhou, Y., et al. Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus (SARS-CoV) 3CL protease. J. Med. Chem. 56(2), 534-546 (2013).