CRS3123 dihydrochloride

• CAT Number: I006103
• CAS Number: 1013915-99-5
• Molecular Formula: C19H21Br2Cl2N3O2S
• Molecular Weight: 586.17
• Purity: ≥95%
• Synonyms: 5-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one;dihydrochloride
• InChI: InChI=1S/C19H19Br2N3O2S.2ClH/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19;;/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25);2*1H/t14-;;/m1../s1
• InChIKey: HZJABMYSJSDCBO-FMOMHUKBSA-N
• SMILES: C1COC2=C(C1NCCCNC3=CC(=O)C4=C(N3)C=CS4)C=C(C=C2Br)Br.Cl.Cl

CRS3123 (REP-3123) dihydrochloride, a fully synthetic antibacterial agent, potently inhibits methionyl-tRNA synthetase (MetRS) of Clostridioides difficile, inhibiting Clostridioides difficile toxin production and spore formation. CRS3123 dihydrochloride is an oral agent for the research of Clostridioides difficile infection (CDI)[1].

Reference

[1]. Agent with Minimal Disruption of Normal Gut Microbiota. Antimicrob Agents Chemother. 2019 Dec 20;64(1):e01395-19.
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