An antiproliferative compound
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SARS-CoV-2-IN-31

Item No. 45827

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4,4′-[(4-ethylphenyl)methylene]bis[3-methyl-1-phenyl-1H-pyrazol-5-ol
CAS Number
1017691-52-9
Synonyms
  • SARS- CoV-2 Inhibitor 31
  • Severe Acute Respiratory Syndrome Coronavirus 2-IN-31
  • Severe Acute Respiratory Syndrome Coronavirus 2 Inhibitor 31
Molecular Formula
C29H28N4O2
Formula Weight
464.6
Purity
≥98%
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
DMSO: Soluble: ≥10 mg/mlEthanol: Slightly soluble: 0.1-1 mg/ml
SMILES
OC1=C(C(C2=C(N(C3=CC=CC=C3)N=C2C)O)C4=CC=C(CC)C=C4)C(C)=NN1C5=CC=CC=C5
InChi Code
InChI=1S/C29H28N4O2/c1-4-21-15-17-22(18-16-21)27(25-19(2)30-32(28(25)34)23-11-7-5-8-12-23)26-20(3)31-33(29(26)35)24-13-9-6-10-14-24/h5-18,27,34-35H,4H2,1-3H3
InChi Key
FRBOOYNCWBDXMZ-UHFFFAOYSA-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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    25 mg

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    Cayman Chemical
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    Product Description

    SARS-CoV-2-IN-31 is a pyrazolone derivative that has antiproliferative activity.1 It inhibits the proliferation of MCF-7 and MDA-MB-231 breast, HeLa cervical, and PC3 prostate cancer cells (IC50s = 38.36, 38.46, 28.84, and 30.62 µM, respectively). SARS-CoV-2-IN-31 is predicted to bind the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro), also known as 3C-like protease (3CLpro), based on molecular docking.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Gupta, A., Iqbal, S., Roohi, et al. Visible light-promoted green and sustainable approach for one pot synthesis of 4,4’-(arylmethylene)bis(1H-pyrazol-5-ols), in vitro anticancer activity, and molecular docking with Covid-19 Mpro. ACS Omega 7(38), 34583-34598 (2022).