Vancomycin - Moligand™, 10mM in DMSO , CAS No.1404-90-6

CAS: 1404-90-6 Cat. No.: V421514 Fórmula: C₆₆H₇₅Cl₂N₉O₂₄ Peso molecular: 1449.25 Número EC: 215-772-6 PubChem CID: 14969

CALIDAD & PUREZA Moligand™, 10mM in DMSO

Synonyms

6Q205EH1VU | vancomicin | VANCOMYCIN [WHO-DD] | A07AA09 | VANCOMYCIN [HSDB] | Vancocin | Vancomicina [INN-Spanish] | SCHEMBL3177 | Vancomycine (INN-French) | S01AA28 | VANCOMYCIN (USP IMPURITY) | Vancomycin [USP:INN:BAN] | Vancomycin hydrochloride from St

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Vancomycin is an antibiotic for the treatment of bacterial infections.

Especificaciones

Sinónimos

6Q205EH1VU | vancomicin | VANCOMYCIN [WHO-DD] | A07AA09 | VANCOMYCIN [HSDB] | Vancocin | Vancomicina [INN-Spanish] | SCHEMBL3177 | Vancomycine (INN-French) | S01AA28 | VANCOMYCIN (USP IMPURITY) | Vancomycin [USP:INN:BAN] | Vancomycin hydrochloride from St

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Vancomycin is an antibiotic used to study bacterial infection. It works by inhibiting the second stage of cell wall synthesis of susceptible bacteria. Vancomycin also changes the permeability of cell membrane and selectively inhibits RNA synthesis.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528767685

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528767685

Sonrisas canónicas

CC1C(C(CC(O1)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=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O

IUPAC Name

(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

InChIKey

MYPYJXKWCTUITO-LYRMYLQWSA-N

INCHI

1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1

Isómeros SMILES

C[C@H]1[C@H]([C@@](C[C@@H](O1)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=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O

PubChem CID

14969

Peso molecular

1449.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Cyclic peptides
• Alternative Parents: Aminoglycosides Phenolic glycosides Diarylethers Disaccharides O-glycosyl compounds Alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Oxanes Cyclic carboximidic acids Amino acids Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Dialkylamines Carboxylic acids Polyols Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Primary alcohols Monoalkylamines Organopnictogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoglycoside core - Cyclic alpha peptide - Phenolic glycoside - O-glycosyl compound - Glycosyl compound - Disaccharide - Diaryl ether - Alpha-amino acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Oxane - Benzenoid - Aryl chloride - Aryl halide - Cyclic carboximidic acid - Secondary alcohol - Amino acid - 1,2-aminoalcohol - Amino acid or derivatives - Acetal - Oxacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Secondary amine - Polyol - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Alcohol - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Primary alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
• 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

Objetivos asociados (humanos)

ADRA2A Tclin Alpha-2A adrenergic receptor (1 Activities)

Discover Target: ADRA2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Peso molecular: 1449.200 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 13
• Exact Mass: 1447.43 Da
• Monoisotopic Mass: 1447.43 Da
• Topological Polar Surface Area: 530.000 Ų
• Heavy Atom Count: 101
• Formal Charge: 0
• Complexity: 2960.000
• 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