Dalbavancin hydrochloride

Dalbavancin hydrochloride (MDL-63397 hydrochloride) is a semisynthetic lipoglycopeptide antibiotic with potent bactericidal activity against Gram-positive bacteria. Dalbavancin hydrochloride inhibits Staphylococcus aureus and Bacillus anthracis with MIC90s of 0.06 μg/mL and 0.25 μg/mL, respectively.

Product information

CAS Number: 2227366-51-8

Molecular Weight: 1853.15

Formula: C88H101Cl3N10O28

Chemical Name: (2S,3S,4R,5R,6S)-6-{[(1S,2R,19R,22R,34S,37R,40R,52S)-32,65-dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-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-hexaazaundecacyclo[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(64),9,11,14,16,23,25,27(61),29,31,33(60),41,43,45(57),46,48,50,62,65-henicosaen-64-yl]oxy}-3,4-dihydroxy-5-(10-methylundecanamido)oxane-2-carboxylic acid hydrochloride

Smiles: Cl.CC(C)CCCCCCCCC(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)OC1=C2C=C3C=C1OC1=CC=C(C[C@H]4NC(=O)[C@H](NC)C5=CC=C(O)C(=C5)OC5C=C([C@H](NC4=O)C(=O)N[C@H]3C(=O)N[C@@H]3C4=CC=C(O)C(=C4)C4=C(C=C(O)C=C4[C@H](NC(=O)[C@@H](NC3=O)[C@H](O)C3=CC=C(O2)C(Cl)=C3)C(=O)NCCCN(C)C)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(Cl)=C(O)C=5)C=C1

InChiKey: PEXPCJWLNBNBNT-AXKGEONOSA-N

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

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : ≥ 24 mg/mL (12.95 mM). H2O : 50 mg/mL (26.98 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

Dalbavancin is a parenterally administered semisynthetic lipoglycopeptide developed to combat infections caused by resistant gram-positive pathogens. Dalbavancin exhibits potent in vitro bactericidal activity against gram-positive pathogens including S. aureus (MRSA), VISA, and non-VanA strains of VRE. Dalbavancin is developed for the treatment of complicated skin and skin structure infections (cSSSIs), predominantly those caused by MRSA and β-hemolytic streptococci, organisms against which it has shown greater potency than existing glycopeptide therapeutic agents.

In Vivo:

Dalbavancin (15-240 mg/kg; intraperitoneal injection; every 36 h or 72 h; for 14 days; female BALB/c mice) treatment has a survival rate of 80% to 100% of mice with all dose regimens.

Products are for research use only. Not for human use.