Dalbavancin HCl

• Catalog Number: ACMA00021447
• Category: Others
• Molecular Weight: 1853.17
• Molecular Formula: C88H101Cl3N10O28
• Description: Dalbavancin is a novel second-generation lipoglycopeptide antibiotic. It belongs to the same class as vancomycin, the most widely used and one of the few treatments available to patients infected with methicillin-resistant Staphylococcus aureus (MRSA). Dalbavancin is a semisynthetic lipoglycopeptide that was designed to improve upon the natural glycopeptides currently available, vancomycin and teicoplanin. It possesses in vitro activity against a variety of Gram-positive pathogens including MRSA and methicillin-resistant Staphylococcus epidermidis (MRSE).
• Synonyms: A-A 1; BI397; BI-397; BI 397; VER 001; VER-001; VER001; MDL63397; MDL-63397; MDL 63397; Dalbavancin; Dalbavancin B0; trade name: Dalvance in the US and Xydalba in Europe.
• IUPAC Name: Ristomycin A aglycone, 5,​31-​dichloro-​38-​de(methoxycarbonyl)​-​7-​demethyl-​19-​deoxy-​56-​O-​[2-​deoxy-​2-​[(10-​methyl-​1-​oxoundecyl)​amino]​-​β-​D-​glucopyranuronosyl]​-​38-​[[[3-​(dimethylamino)​propyl]​amino]​carbonyl]​-​42-​O-​α-​D-​mannopyranosyl-​N15-​methyl-
• Canonical SMILES: CC(CCCCCCCCC(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)=O)O[C@H]1OC2=C3C=C4C=C2OC5=C(Cl)C=C([C@@H](O)[C@H]6C(N[C@H](C(NCCCN(C)C)=O)C7=CC(O)=CC(O[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O8)=C7C9=C(O)C=CC([C@@H](NC([C@@H]4NC([C@@H]%10C%11=CC(OC%12=C(O)C=CC([C@@H](NC)C(N[C@@H](C(N%10)=O)CC%13=CC=C(C=C%13)O3)=O)=C%12)=CC(O)=C%11Cl)=O)=O)C(N6)=O)=C9)=O)C=C5)=O)C.Cl
• InChI: InChI=1S/C88H100Cl2N10O28.ClH/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);1H/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+;/m1./s1
• InChI Key: PEXPCJWLNBNBNT-AXKGEONOSA-N
• Solubility: Soluble in DMSO, not in water
• Appearance: Off-white solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 171500-79-1 (free base)
• Biological Target: Dalbavancin hydrochloride (MDL-63397 hydrochloride) is a semisynthetic lipoglycopeptide antibiotic with potent bactericidal activity against Gram-positive bacteria.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 57.04; H, 5.49; Cl, 5.74; N, 7.56; O, 24.17
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: Dalbavancin showed potent in vitro activity against S. aureus (MIC range < 0.007-0.125 mg/L), with MIC50/MIC90 values within the susceptibility breakpoints. Remarkably, its activity was retained against the most refractory MDR-MRSA isolates belonging to the major MRSA clones: ST228-SCCmec I, ST8-SCCmec IV, ST239-SCCmec III, ST5-SCCmec II, and ST22-SCCmec-IVh. Dalbavancin also demonstrated activity against DNS isolates, making it a valuable tool against these periodically reported strains.; Reference: Antibiotics (Basel). 2020 Dec 3;9(12):865. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7761838/
• In Vivo Activity: Mice infected with SARS-CoV-2 displayed transient infection and viral replication, but little virus was found at 72 hpi. At 24 hpi and 72 hpi, the viral load in the lungs of the control group was ~107 and ~105 copies/μg total RNA, respectively, whereas that in mice treated with a single dose of dalbavancin (130 mg/kg intraperitoneal administration at day 0) decreased to ~103 and ~102 copies, respectively (Fig. 4a). Thus, dalbavancin administration almost completely inhibited viral replication. Histopathological examination of the lungs indicated that most of mice in the control group showed typical interstitial pneumonia, characterized by infiltration of significant macrophages and lymphocytes into the alveolar interstitium, and accumulation of macrophages in alveolar cavities. In contrast, dalbavancin administration showed significant protective effects and prevented histopathological injuries caused by virus infection, with only mild histopathological injuries (Fig. 4b). Viral infection caused a decrease in mouse body weight, while dalbavancin administration rescued this decrease (Fig. 4c), with little effect on body temperature (Supplementary information, Fig. S2).; Reference: Cell Res. 2021 Jan;31(1):17-24. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7705431/
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).