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oritavancin , CAS No.171099-57-3

    Grade & Purity:
  • Moligand™
  • ≥80%
  • Calculated as anhydrous
In stock
Item Number
O612552
Grouped product items
SKU Size
Availability
Price Qty
O612552-1mg
1mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
O612552-5mg
5mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$63.90
O612552-10mg
10mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$103.90
O612552-25mg
25mg
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$189.90
O612552-50mg
50mg
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$353.90
O612552-100mg
100mg
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$567.90

Basic Description

Synonyms CHEBI:82699 | Chlorobiphenyl-chloroeremomycin | Q7102878 | LY 333328 | UNII-PUG62FRZ2E | (4'R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N(sup 3)' -(p-(p-chlorophenyl)benzyl)vancomycin | NCGC00485478-01 | NCGC00485478-02 | ORI
Specifications & Purity Moligand™, ≥80%, Calculated as anhydrous
Biochemical and Physiological Mechanisms Oritavancin diphosphate (LY333328 diphosphate), a semisynthetic derivative of Vancomycin (HY-B0671), is an orally active glycopeptide antibiotic with bactericidal activity against gram-positive organisms. Oritavancin diphosphate shows antibacterial effect
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Product Description

Oritavancin diphosphate (LY333328 diphosphate) is a novel semisynthetic glycopeptide antibiotic developed for treating serious Gram-positive bacterial infections.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Amino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct Parent Oligopeptides
Alternative Parents Cyclic peptides  Aminoglycosides  Phenolic glycosides  Leucine and derivatives  N-acyl-alpha amino acids and derivatives  Chlorinated biphenyls  Alpha amino acid amides  Disaccharides  Diarylethers  O-glycosyl compounds  Phenylmethylamines  Benzylamines  Chlorobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aralkylamines  1-hydroxy-4-unsubstituted benzenoids  Aryl chlorides  Oxanes  N-acyl amines  Organic phosphoric acids and derivatives  1,2-aminoalcohols  Secondary carboxylic acid amides  Secondary alcohols  Primary carboxylic acid amides  Amino acids  Lactams  Carboxylic acids  Azacyclic compounds  Oxacyclic compounds  Polyols  Monocarboxylic acids and derivatives  Dialkylamines  Acetals  Organochlorides  Carbonyl compounds  Organopnictogen compounds  Primary alcohols  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Alpha-oligopeptide - Cyclic alpha peptide - Aminoglycoside core - Phenolic glycoside - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Chlorinated biphenyl - Biphenyl - Alpha-amino acid amide - O-glycosyl compound - Diaryl ether - Disaccharide - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzylamine - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Aralkylamine - Amino saccharide - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Oxane - Carboxamide group - Amino acid - 1,2-aminoalcohol - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Secondary alcohol - Primary carboxylic acid amide - Oxacycle - Ether - Azacycle - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Polyol - Organoheterocyclic compound - Acetal - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors phosphate salt

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus (3973 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus pneumoniae (31063 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus (1748 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus viridans (303 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus haemolyticus (1695 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus (1598 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus agalactiae (1777 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus pyogenes (16140 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus faecium (13803 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bacillus cereus (7522 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
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Enterococcus sp. (726 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bacillus anthracis (2936 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Serum (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
8238086 Cytochrome P450 (0 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;phosphoric acid
INCHI InChI=1S/C86H97Cl3N10O26.2H3O4P/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114;2*1-5(2,3)4/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117);2*(H3,1,2,3,4)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-;;/m0../s1
InChIKey PWTROOMOPLCZHB-BHYQHFGMSA-N
Smiles CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILES C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O.OP(=O)(O)O.OP(=O)(O)O
Molecular Weight 1989.09

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO: 14 mg/mL (7.04 mM)
Sensitivity Moisture sensitive
Molecular Weight 1793.100 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 20
Hydrogen Bond Acceptor Count 29
Rotatable Bond Count 19
Exact Mass 1790.56 Da
Monoisotopic Mass 1790.56 Da
Topological Polar Surface Area 561.000 Ų
Heavy Atom Count 125
Formal Charge 0
Complexity 3700.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 22
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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