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VVD-118313

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Chemical compound

Pharmaceutical compound
VVD-118313
Identifiers
IUPAC name
  • 1--3-prop-2-yn-1-one
CAS Number
PubChem CID
ChemSpider
Chemical and physical data
FormulaC19H22Cl2N2O3S
Molar mass429.36 g·mol
3D model (JSmol)
SMILES
  • CS(=O)(=O)N1CC(C1)C#CC(=O)N2CCC(C2)C3=CC(=C(C=C3)Cl)Cl
InChI
  • InChI=1S/C19H22Cl2N2O3S/c1-27(25,26)23-10-8-14(12-23)4-7-19(24)22-9-2-3-16(13-22)15-5-6-17(20)18(21)11-15/h5-6,11,14,16H,2-3,8-10,12-13H2,1H3/t14-,16+/m0/s1
  • Key:OUPVMVHXMWBFDP-GOEBONIOSA-N

VVD-118313 is a chemical compound which acts as a potent and selective negative allosteric modulator of JAK1, and was developed for research into the treatment of inflammatory diseases, especially chronic inflammation involved in the development of cancer.

See also

References

  1. Kavanagh ME, Horning BD, Khattri R, Roy N, Lu JP, Whitby LR, et al. (December 2022). "Selective inhibitors of JAK1 targeting an isoform-restricted allosteric cysteine". Nature Chemical Biology. 18 (12): 1388–1398. doi:10.1038/s41589-022-01098-0. PMC 7614775. PMID 36097295.
  2. Silvennoinen O, Haikarainen T, Virtanen A (December 2022). "Aiming for the pocket". Nature Chemical Biology. 18 (12): 1296–1297. doi:10.1038/s41589-022-01120-5. PMID 36097296.
  3. Caveney NA, Saxton RA, Waghray D, Glassman CR, Tsutsumi N, Hubbard SR, et al. (March 2023). "Structural basis of Janus kinase trans-activation". Cell Reports. 42 (3): 112201. doi:10.1016/j.celrep.2023.112201. PMC 10180219. PMID 36867534.
  4. Henry SP, Jorgensen WL (August 2023). "Progress on the Pharmacological Targeting of Janus Pseudokinases". Journal of Medicinal Chemistry. 66 (16): 10959–10990. doi:10.1021/acs.jmedchem.3c00926. PMID 37578217.
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