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CAS 133161-99-6

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,4-dihydroxyphenyl)[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-7-(formylamino)-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, sodium salt (1:1), [6R-(6α,7β)]-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, with the CAS number 133161-99-6, is a complex chemical compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and exhibits a range of substituents that enhance its biological activity. The presence of a piperazine moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound contains a thiadiazole group, which is often associated with antimicrobial and antifungal properties. As a sodium salt, it is likely to be more soluble in aqueous environments, facilitating its use in pharmaceutical formulations. The stereochemistry indicated by the [6R-(6α,7β)] notation suggests specific spatial arrangements of atoms, which can significantly influence the compound's reactivity and biological interactions. Overall, this compound's unique structural features and functional groups position it as a candidate for further research in drug development and therapeutic applications.
Formula:C26H26N8O10S3·Na
InChI:InChI=1S/C26H26N8O10S3.Na/c1-2-32-5-6-33(20(40)19(32)39)24(44)29-16(12-3-4-14(36)15(37)7-12)18(38)30-26(27-10-35)22(43)34-17(21(41)42)13(8-45-23(26)34)9-46-25-31-28-11-47-25;/h3-4,7,10-11,16,23,36-37H,2,5-6,8-9H2,1H3,(H,27,35)(H,29,44)(H,30,38)(H,41,42);/t16?,23-,26-;/m1./s1
InChI key:InChIKey=PRYGMHRPHAHYKB-LACMFEBBSA-N
SMILES:N(C(C(NC(=O)N1C(=O)C(=O)N(CC)CC1)C2=CC(O)=C(O)C=C2)=O)[C@@]3(NC=O)[C@@]4(N(C3=O)C(C(O)=O)=C(CSC5=NN=CS5)CS4)[H].[Na]
Synonyms:
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,4-dihydroxyphenyl)[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-7-(formylamino)-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, monosodium salt, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,4-dihydroxyphenyl)[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-7-(formylamino)-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, sodium salt (1:1), [6R-(6α,7β)]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,4-dihydroxyphenyl)[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]acetyl]amino]-7-(formylamino)-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-, monosodium salt, [6R-(6α,7β)]-
  • BRL 41897A
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