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Dalbavancin

CAS No.:
171500-79-1
Catalog Number:
AG00ABNL
Molecular Formula:
C88H100Cl2N10O28
Molecular Weight:
1816.6918
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$119
- +
5mg
≥98%
1 week
United States
$291
- +
10mg
≥98%
1 week
United States
$432
- +
25mg
≥98%
1 week
United States
$760
- +
Product Description
Catalog Number:
AG00ABNL
Chemical Name:
Dalbavancin
CAS Number:
171500-79-1
Molecular Formula:
C88H100Cl2N10O28
Molecular Weight:
1816.6918
MDL Number:
MFCD09837770
IUPAC Name:
(2S,3S,4R,5R,6S)-6-[[(1S,2R,19R,22R,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
InChI:
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
InChI Key:
KGPGQDLTDHGEGT-SZUNQUCBSA-N
SMILES:
OC[C@H]1O[C@H](Oc2cc(O)cc3c2c2cc(ccc2O)[C@H]2NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc4ccc([C@H]([C@@H](C(=O)N[C@@H]3C(=O)NCCCN(C)C)NC2=O)O)cc4Cl)c7O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2NC(=O)CCCCCCCCC(C)C)O)O)cc6)NC(=O)[C@H](NC)c2cc(Oc3cc5c(Cl)c(c3)O)c(O)cc2)[C@H]([C@H]([C@@H]1O)O)O
UNII:
B0U42518WL
Properties
Complexity:
3740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
18  
Defined Bond Stereocenter Count:
0
Exact Mass:
1814.609g/mol
Formal Charge:
0
Heavy Atom Count:
128  
Hydrogen Bond Acceptor Count:
30  
Hydrogen Bond Donor Count:
21  
Isotope Atom Count:
0
Molecular Weight:
1816.71g/mol
Monoisotopic Mass:
1814.609g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
573A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Dalbavancin (BI-387) for the treatment of complicated skin and skin structure infection. Expert review of anti-infective therapy 20150201
[In vitro activity of linezolid and dalbavancin against vancomycin-resistant enterococci]. Mikrobiyoloji bulteni 20120701
A carrier protein strategy yields the structure of dalbavancin. Journal of the American Chemical Society 20120314
MRSA new treatments on the horizon: current status. Injury 20111201
Susceptibility of molecularly characterized hospital-associated methicillin-resistant Staphylococcus aureus isolates to dalbavancin. Journal of chemotherapy (Florence, Italy) 20111001
Dalbavancin: Quantification in human plasma and urine by a new improved high performance liquid chromatography-tandem mass spectrometry method. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110901
In vitro activity of dalbavancin and telavancin against staphylococci and streptococci isolated from patients in Canadian hospitals: results of the CANWARD 2007-2009 study. Diagnostic microbiology and infectious disease 20110301
Outpatient parenteral antimicrobial therapy: Recent developments and future prospects. Current opinion in investigational drugs (London, England : 2000) 20100801
Evaluation of dalbavancin as chiral selector for HPLC and comparison with teicoplanin-based chiral stationary phases. Chirality 20100515
New lipoglycopeptides: a comparative review of dalbavancin, oritavancin and telavancin. Drugs 20100507
[Update on antimicrobial chemotherapy]. Medecine et maladies infectieuses 20100301
A comparative review of the lipoglycopeptides: oritavancin, dalbavancin, and telavancin. Pharmacotherapy 20100101
Modeled dalbavancin transmembrane clearance during intermittent and continuous renal replacement therapies. Blood purification 20100101
In vitro activity of dalbavancin against staphylococci isolated in Istanbul, Turkey. Chemotherapy 20100101
Antibiotics for gram-positive bacterial infections: vancomycin, teicoplanin, quinupristin/dalfopristin, oxazolidinones, daptomycin, dalbavancin, and telavancin. Infectious disease clinics of North America 20091201
New antimicrobial agents for methicillin-resistant Staphylococcus aureus. Critical care and resuscitation : journal of the Australasian Academy of Critical Care Medicine 20091201
Microbiology of drugs for treating multiply drug-resistant Gram-positive bacteria. The Journal of infection 20090901
Antimicrobial development in the era of emerging resistance. Mini reviews in medicinal chemistry 20090701
Multicenter evaluation of the in vitro activity of dalbavancin tested against staphylococci and streptococci in 5 European countries: results from the DECIDE Surveillance Program (2007). Diagnostic microbiology and infectious disease 20090601
Pharmacokinetics of dalbavancin in patients with renal or hepatic impairment. Journal of clinical pharmacology 20090401
A single-dose combination therapy that both prevents and treats anthrax infection. Vaccine 20090313
New antibiotics for healthcare-associated pneumonia. Seminars in respiratory and critical care medicine 20090201
In vitro activity of dalbavancin against enterococci isolates from wild animals, pets, poultry and humans in Portugal. Journal of basic microbiology 20081201
Antimicrobial agents in treatment of MRSA infections. Disease-a-month : DM 20081201
Pharmacokinetic-pharmacodynamic modeling of dalbavancin, a novel glycopeptide antibiotic. Journal of clinical pharmacology 20080901
Dalbavancin: a lipoglycopeptide antibacterial for Gram-positive infections. Expert opinion on pharmacotherapy 20080701
Dalbavancin: a new lipoglycopeptide antibiotic. American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists 20080401
Dalbavancin: a novel once-weekly lipoglycopeptide antibiotic. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20080215
Dalbavancin and telavancin: novel lipoglycopeptides for the treatment of Gram-positive infections. Expert review of anti-infective therapy 20080201
Review: dalbavancin--a novel lipoglycopeptide antimicrobial for gram positive pathogens. Pakistan journal of pharmaceutical sciences 20080101
Dalbavancin. Drugs 20080101
Update on prevalence and treatment of methicillin-resistant Staphylococcus aureus infections. Expert review of anti-infective therapy 20071201
Pharmacokinetics of dalbavancin in plasma and skin blister fluid. The Journal of antimicrobial chemotherapy 20070901
Dalbavancin, a long-acting lipoglycopeptide for the treatment of multidrug-resistant Gram-positive bacteria. Expert review of anti-infective therapy 20070801
Dalbavancin: a novel antimicrobial. International journal of clinical practice 20070501
Review of dalbavancin, a novel semisynthetic lipoglycopeptide. Expert opinion on investigational drugs 20070501
Dalbavancin: a review. Drugs of today (Barcelona, Spain : 1998) 20070501
Biotransformations of lipoglycopeptides to obtain novel antibiotics. The Journal of antibiotics 20070401
[Therapeutic perspectives of linezolid in the management of infections due to multiresistant Gram-positive pathogens]. Recenti progressi in medicina 20070301
Pharmacodynamics of dalbavancin studied in an in vitro pharmacokinetic system. The Journal of antimicrobial chemotherapy 20061001
Effect of dalbavancin on the normal intestinal microflora. The Journal of antimicrobial chemotherapy 20060901
Glycopeptides and glycodepsipeptides in clinical development: a comparative review of their antibacterial spectrum, pharmacokinetics and clinical efficacy. Current opinion in investigational drugs (London, England : 2000) 20060801
Understanding and manipulating glycopeptide pathways: the example of the dalbavancin precursor A40926. Journal of industrial microbiology & biotechnology 20060701
Dalbavancin: a novel lipoglycopeptide antibacterial. Pharmacotherapy 20060701
Evaluation of dalbavancin in combination with nine antimicrobial agents to detect enhanced or antagonistic interactions. International journal of antimicrobial agents 20060601
Antibacterial drug discovery and development--SRI's 11th Annual Summit. Antibacterial trends and current research. IDrugs : the investigational drugs journal 20060601
Dalbavancin: a review for dermatologists. Dermatology online journal 20060530
Dalbavancin: a new option for the treatment of gram-positive infections. The Annals of pharmacotherapy 20060301
Spectrum and potency of dalbavancin tested against 3322 Gram-positive cocci isolated in the United States Surveillance Program (2004). Diagnostic microbiology and infectious disease 20060201
Microbiologic characterization of isolates from a dalbavancin clinical trial for catheter-related bloodstream infections. Diagnostic microbiology and infectious disease 20060201
Dalbavancin activity against selected populations of antimicrobial-resistant Gram-positive pathogens. Diagnostic microbiology and infectious disease 20051201
Antimicrobial spectrum and potency of dalbavancin tested against clinical isolates from Europe and North America (2003): initial results from an international surveillance protocol. Journal of chemotherapy (Florence, Italy) 20051201
Randomized, double-blind comparison of once-weekly dalbavancin versus twice-daily linezolid therapy for the treatment of complicated skin and skin structure infections. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20051115
Population pharmacokinetic analysis of dalbavancin, a novel lipoglycopeptide. Journal of clinical pharmacology 20051101
New antibiotics for the treatment of severe staphylococcal infection in the critically ill patient. Current opinion in critical care 20051001
Acquisitions not a cure for anti-infectives. Nature reviews. Drug discovery 20050901
Dalbavancin compared with vancomycin for prevention of Staphylococcus aureus colonization of devices in vivo. The Journal of infection 20050401
Origin, structure, and activity in vitro and in vivo of dalbavancin. The Journal of antimicrobial chemotherapy 20050301
In vitro antistaphylococcal activity of dalbavancin, a novel glycopeptide. The Journal of antimicrobial chemotherapy 20050301
Human pharmacokinetics and rationale for once-weekly dosing of dalbavancin, a semi-synthetic glycopeptide. The Journal of antimicrobial chemotherapy 20050301
Pharmacokinetics and excretion of dalbavancin in the rat. The Journal of antimicrobial chemotherapy 20050301
Efficacy and safety of weekly dalbavancin therapy for catheter-related bloodstream infection caused by gram-positive pathogens. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20050201
Antimicrobial activity of dalbavancin tested against Gram-positive clinical isolates from Latin American medical centres. Clinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases 20050201
Dalbavancin: an investigational glycopeptide. Expert review of anti-infective therapy 20041201
Recent advances in the treatment of infections due to resistant Staphylococcus aureus. Current opinion in infectious diseases 20041201
Glycopeptides in clinical development: pharmacological profile and clinical perspectives. Current opinion in pharmacology 20041001
Activity of dalbavancin against staphylococci and streptococci, assessed by BSAC and NCCLS agar dilution methods. The Journal of antimicrobial chemotherapy 20040901
Current and new antimicrobial agents. American heart journal 20040401
Worldwide assessment of dalbavancin activity and spectrum against over 6,000 clinical isolates. Diagnostic microbiology and infectious disease 20040201
Validation of commercial dry-form broth microdilution panels and test reproducibility for susceptibility testing of dalbavancin, a new very long-acting glycopeptide. International journal of antimicrobial agents 20040201
Glycopeptide antibiotics: from conventional molecules to new derivatives. Drugs 20040101
Once-weekly dalbavancin versus standard-of-care antimicrobial regimens for treatment of skin and soft-tissue infections. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 20031115
The gene cluster for the biosynthesis of the glycopeptide antibiotic A40926 by nonomuraea species. Chemistry & biology 20030601
Audiologic monitoring for potential ototoxicity in a phase I clinical trial of a new glycopeptide antibiotic. Journal of the American Academy of Audiology 20030401
Dalbavancin (Biosearch Italia/Versicor). Current opinion in investigational drugs (London, England : 2000) 20020201
Properties