| Identification | Back Directory | [Name]
Butanoic acid, 4-[(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(4-quinazolinylamino)-, (2S)- | [CAS]
2376257-44-0 | [Synonyms]
KR-39038
PLN74809
Bexotegrast
Butanoic acid, 4-[(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(4-quinazolinylamino)-, (2S)- | [Molecular Formula]
C27H36N6O3 | [MOL File]
2376257-44-0.mol | [Molecular Weight]
492.61 |
| Chemical Properties | Back Directory | [Boiling point ]
769.7±60.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
3.08±0.10(Predicted) | [color ]
White to off-white | [InChIKey]
CWOFQJBATWQSHL-DEOSSOPVSA-N | [SMILES]
C(O)(=O)[C@@H](NC1=C2C(=NC=N1)C=CC=C2)CCN(CCOC)CCCCC1C=CC2=C(N=1)NCCC2 |
| Hazard Information | Back Directory | [Uses]
Bexotegrast (PLN-74809) is an orally active, potent dual αvβ6/αvβ1 integrin inhibitor with Kd of 5.7 nM and 3.4 nM, respectively. Bexotegrast inhibits αvβ6- and αvβ1-induced TGF-β activation with IC50 values of 29.8 nM and 19.2 nM, respectively. Bexotegrast has antifibrogenic effects and block multiple avenues of TGF-β activation in the fibrotic lung[1][2]. | [in vivo]
Bexotegrast (PLN-74809; orally; 100, 250, and 500 mg/kg twice daily; from Day 7 to Day 21) shows a dose-dependent, significant reduction in interstitial fibrillar collagen deposition in Bleomycin-challenged mice. Bexotegrast dose-dependently blocks Smad3 phosphorylation[2].
| Animal Model: | C57BL/6 mice[2] | | Dosage: | 100, 250, and 500 mg/kg | | Administration: | Orally; twice daily; from Day 7 to Day 21 | | Result: | Showed a dose-dependent, significant reduction in interstitial fibrillar collagen deposition in Bleomycin (3 units/kg)-challenged mice.
Dose-dependently blocked Smad3 phosphorylation.
|
| [IC 50]
αvβ6: 5.7 nM (Kd); αvβ1: 3.4 nM (Kd) | [storage]
Store at -20°C | [References]
[1] Anindya Roy, et al. De novo design of highly selective miniprotein inhibitors of integrins αvβ6 and αvβ8. Nat Commun. 2023 Sep 13;14(1):5660. DOI:10.1038/s41467-023-41272-z
[2] Martin L Decaris, et al. Dual inhibition of αvβ6 and αvβ1 reduces fibrogenesis in lung tissue explants from patients with IPF. Respir Res. 2021 Oct 19;22(1):265. DOI:10.1186/s12931-021-01863-0 |
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BOC Sciences
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1-631-485-4226; 16314854226 |
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https://www.bocsci.com |
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