telavancin - Moligand™ , CAS No.372151-71-8

CAS: 372151-71-8 Cat. No.: T614373 Numero EC: 927-282-6 PubChem CID: 3081362

GRADE & PURITY Moligand™

Synonyms

DTXSID10873383 | N(3'')-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)vancomycin | SCHEMBL8287015 | telavancine | Televancin | Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)- | (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-a

Storage

Room temperature

Specifications

Sinonimi

DTXSID10873383 | N(3'')-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)vancomycin | SCHEMBL8287015 | telavancine | Televancin | Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)- | (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-a

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: CCCCCCCCCCNCCNC1(CC(OC(C1O)C)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)C
• IUPAC Name: (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-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(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid
• InChIKey: ONUMZHGUFYIKPM-MXNFEBESSA-N
• INCHI: 1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1
• Isomeri SMILES: CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C
• CAS alternativo: 372151-71-8
• PubChem CID: 3081362
• Termini MeSH: TD 6424;TD-6424;TD6424;telavancin;telavancin hydrochloride;Vibativ

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Alpha amino acid amides Diarylethers Disaccharides O-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes N-acyl amines Aryl chlorides Organic phosphonic acids Secondary alcohols Secondary carboxylic acid amides Amino acids Lactams 1,2-aminoalcohols Primary carboxylic acid amides Polyols Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylamines Organic oxides Primary alcohols Carbonyl compounds Organopnictogen compounds Organophosphorus compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Aminoglycoside core - Cyclic alpha peptide - Phenolic glycoside - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Disaccharide - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - N-acyl-amine - Fatty acyl - Aryl halide - Benzenoid - Aryl chloride - Oxane - Fatty amide - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - 1,2-aminoalcohol - Lactam - Amino acid or derivatives - Primary carboxylic acid amide - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Polyol - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Primary alcohol - Amine - Hydrocarbon derivative - Organophosphorus compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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: glycopeptide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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Homo sapiens (32628 Activities)

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HK-2 (249 Activities)

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L02 (4864 Activities)

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Obiettivi associati (non umani)

Streptococcus sanguinis (314 Activities)

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Streptococcus pneumoniae (31063 Activities)

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Enterococcus (1748 Activities)

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Collinsella aerofaciens (60 Activities)

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Streptococcus viridans (303 Activities)

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Eggerthella lenta (139 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Bacteroides fragilis (1445 Activities)

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Bacteroides thetaiotaomicron (562 Activities)

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Parabacteroides distasonis (282 Activities)

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Fusobacterium mortiferum (179 Activities)

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Fusobacterium varium (184 Activities)

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Peptoniphilus asaccharolyticus (368 Activities)

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Peptostreptococcus anaerobius (347 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Staphylococcus haemolyticus (1695 Activities)

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Staphylococcus hominis (482 Activities)

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Escherichia coli (133304 Activities)

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Phocaeicola vulgatus (440 Activities)

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Hoylesella loescheii (67 Activities)

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Finegoldia magna (323 Activities)

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Staphylococcus (1598 Activities)

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Staphylococcus simulans (400 Activities)

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Staphylococcus warneri (476 Activities)

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Streptococcus sp. (212 Activities)

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Streptococcus agalactiae (1777 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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Paraclostridium bifermentans (60 Activities)

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Clostridium butyricum (54 Activities)

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Clostridioides difficile (2968 Activities)

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Clostridium perfringens (1165 Activities)

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Clostridium sporogenes (139 Activities)

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Thomasclavelia ramosa (78 Activities)

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Actinomyces naeslundii (215 Activities)

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Enterococcus faecalis (29875 Activities)

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Paeniclostridium sordellii (66 Activities)

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Clostridium tertium (174 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mus musculus (284745 Activities)

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Staphylococcus saprophyticus (562 Activities)

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Staphylococcus capitis (242 Activities)

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Streptococcus mitis (390 Activities)

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Bacteroides ovatus (282 Activities)

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Prevotella bivia (313 Activities)

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Prevotella buccae (219 Activities)

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Prevotella disiens (96 Activities)

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Prevotella melaninogenica (262 Activities)

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Hoylesella oralis (105 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 1755.600 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 30
• Exact Mass: 1753.64 Da
• Monoisotopic Mass: 1753.64 Da
• Topological Polar Surface Area: 598.000 Ų
• Heavy Atom Count: 121
• Formal Charge: 0
• Complexity: 3490.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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

Riferimenti

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]

2. Guiqiu Li, Ying Wei, Yan Guo, Hui Gong, Jie Lian, Guangjian Xu, Bing Bai, Zhijian Yu, Qiwen Deng.  (2022)  Omadacycline Efficacy against Streptococcus Agalactiae Isolated in China: Correlation between Resistance and Virulence Gene and Biofilm Formation.  Computational Intelligence and Neuroscience,      [PMID:35510054] [10.1155/2022/7636983]

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 372151-71-8. InChIKey ONUMZHGUFYIKPM-MXNFEBESSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.