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CAS 118373-81-2

:

22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-2′-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin

Description:
The chemical substance known as "22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-2′-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin" with the CAS number 118373-81-2 is a modified form of vancomycin, an antibiotic that is primarily effective against Gram-positive bacteria. This compound features structural modifications that enhance its pharmacological properties, particularly its ability to combat antibiotic resistance. The presence of amino and trideoxy sugar moieties contributes to its increased binding affinity to bacterial cell wall precursors, thereby improving its antibacterial efficacy. The modifications also influence its solubility, stability, and bioavailability. Vancomycin derivatives like this one are of significant interest in medicinal chemistry for their potential to treat infections caused by resistant strains of bacteria, including MRSA (Methicillin-resistant Staphylococcus aureus). Overall, this compound exemplifies the ongoing efforts to optimize antibiotic structures for better therapeutic outcomes in the face of rising antibiotic resistance.
Formula:C66H75Cl2N9O24
InChI:InChI=1/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49+,50-,51+,52+,53-,54+,55+,57-,65-,66-/m0/s1
InChI key:InChIKey=ATHQCOUEZPBNLP-JWYJDYCQSA-N
SMILES:O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)[C@@H](O)[C@@H](NC([C@@H](CC(C)C)NC)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3(C(=O)N[C@@]5(C=6C=C(C=7C([C@@H](C(O)=O)NC(=O)[C@]([C@H](O[C@H]8C[C@](C)(N)[C@@H](O)[C@H](C)O8)C=9C=C(Cl)C(O2)=CC9)(NC5=O)[H])=CC(O)=CC7O)C(O)=CC6)[H])[H])[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O
Synonyms:
  • 22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-2′-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37-tetrahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)
  • PA 45052B
  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-2′-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-
  • 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, vancomycin deriv.
  • (1S,2R,18R,19R,22S,25R,28R,40R)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37-tetrahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name)
  • Chloroorienticin B
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