Dalbavancin - Moligand™, ≥98% , CAS No.171500-79-1

CAS: 171500-79-1 Cat. No.: D329356 Summenformel: C₈₈H₁₀₀Cl₂N₁₀O₂₈ Molekulargewicht: 1816.69 EG-Nummer: 857-318-5 PubChem CID: 135659030

GRADE & PURITY Moligand™, ≥98%

Synonyms

Dalbavancin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Dalbavancin is a semi-synthetic glycopeptide prepared from A40926 by introducing a positively charged lipophilic moiety in a previously unexplored region of the natural glycopeptide. This modification provides a longer in vitro half life, and improved in vitro activity against a variety of Gram positive and multi-drug resistant isolates such as MRSA and MRSE.

Specifications

Synonyme

Dalbavancin

Spezifikationen & Reinheit

Moligand™, ≥98%

Quelle

Semi-synthetic

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504773408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773408
• Kanonisches Lächeln: CC(C)CCCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
• IUPAC Name: (2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22S,34S,37R,40R,52S)-5,32-dichloro-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(10-methylundecanoylamino)oxane-2-carboxylic acid
• InChIKey: KGPGQDLTDHGEGT-FOPUKGCJSA-N
• INCHI: 1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64+,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1
• Isomere SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@@H](C(=O)N[C@H](CC2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
• PubChem CID: 135659030
• Molekulargewicht: 1816.69

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol, methanol, DMSO, DMF, and water (poor).

Referenzen

1. Yechang Guo, Shaofeng Wang, Peiyue Li, Pan Zhang, Wei Wang.  (2023)  Rapid Colloidal Gold Immunoassay for Pharmacokinetic Evaluation of Vancomycin in the Cerebrospinal Fluid and Plasma of Beagle Dogs.  SENSORS,  23  (21): (8978).  [PMID:37960677] [10.3390/s23218978]