CAS 22601-63-4

N-{[2-(2-methylbutanoyl)-1,3-thiazol-4-yl]carbonyl}leucyl-alpha-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-15-(1-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopent

Description:

The chemical substance N-{[2-(2-methylbutanoyl)-1,3-thiazol-4-yl]carbonyl}leucyl-alpha-glutamyl-N-[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-15-(1-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopent (CAS 22601-63-4) is a complex organic compound characterized by its intricate structure, which includes multiple functional groups and a thiazole ring. This compound features a combination of amino acids, specifically leucine and glutamic acid, suggesting potential biological activity, possibly as a peptide or peptide-like molecule. The presence of various substituents, such as a thiazole moiety and imidazole, indicates potential interactions with biological targets, making it of interest in medicinal chemistry. Its heptaazacyclopent structure implies a cyclic arrangement that may contribute to its stability and reactivity. Overall, this compound's unique characteristics may lend it properties suitable for applications in pharmaceuticals or biochemistry, although specific biological activities and interactions would require further investigation.

Formula: C₆₆H₉₈N₁₆O₁₇S

InChI: InChI=1/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)

SMILES: CCC(C)C(C(=NC1CCCCN=C(C(CC(=N)O)N=C(C(CC(=O)O)N=C(C(Cc2cnc[nH]2)N=C(C(Cc2ccccc2)N=C(C(C(C)CC)N=C(C(CCCN)N=C1O)O)O)O)O)O)O)O)N=C(C(CCC(=O)O)N=C(C(CC(C)C)N=C(c1csc(C(=O)C(C)CC)n1)O)O)O

Bacitracin EP Impurity E Ditrifluoroacetate (Bacitracin F Ditrifluoroacetate)

CAS: 22601-63-4

Formula: C₆₆H₉₈N₁₆O₁₇S·2C₂HF₃O₂

Color and Shape: White To Off-White Solid

Molecular weight: 1419.67 2*114.02

Ref: 4Z-PB-073002

Bacitracin F (~75%)

CAS: 22601-63-4

Applications Bacitracin F is a major Bacitracin (B106500) analog, a peptide antibiotic used as an inhibitor of protein disulfide isomerase (PDI).
References Freedman, R., et al.: Cell, 57, 1069 (1989); Noiva, R., et al.: J. Biol. Chem., 267, 3553 (1992); Ikai, Y., et al.: J. Antibiot., 48, 233 (1995); Lovat, P., et al.: Cancer Res., 68, 5363 (2008); Byrne, L., et al.: Biochem. J., 423, 209 (2009); Dickerhof, N., et al.: FEBS J., 278, 2034 (2011)

Formula: C₆₆H₉₈N₁₆O₁₇S

Purity: ~75%

Color and Shape: Neat

Molecular weight: 1419.65

Ref: TR-B106530

Bacitracin F

CAS: 22601-63-4

Bacitracin is a polypeptide antibiotic that inhibits bacterial cell wall synthesis by binding to the lipid II precursor. It has been shown to inhibit the growth of human pathogens, including Staphylococcus aureus, Enterococcus faecalis, and Streptococcus pneumoniae. The biological activity of bacitracin F is sensitive to pH and can be inhibited by hydroxide solution or hydrochloric acid. The disulfide bond in bacitracin F can be cleaved using sodium hydroxide solution. Chromatographic techniques were used to identify this disulfide bond in bacitracin F.

Formula: C₆₆H₉₈N₁₆O₁₇S

Purity: Min. 95%

Molecular weight: 1,419.6 g/mol

Ref: 3D-XAA60163

Bacitracin EP Impurity E

CAS: 22601-63-4

Formula: C₆₆H₉₈N₁₆O₁₇S

Molecular weight: 1419.7

Ref: ST-EA-CP-B106004

Bacitracin F

CAS: 22601-63-4

Bacitracin F is a major Bacitracin analog -- a peptide antibiotic used as an inhibitor of protein disulfide isomerase (PDI).

Formula: C₆₆H₉₈N₁₆O₁₇S

Color and Shape: Solid

Molecular weight: 1419.65

Ref: TM-T69718