Fleomicina - Moligand™, BioReagent , CAS No.11006-33-0

CAS: 11006-33-0 Cat. No.: P302186 Fórmula: C₅₅H₈₄N₂₀O₂₁S₂Cu • HCl Peso molecular: 1525.5 Número CE: 634-572-3

GRAU & PUREZA BioReagent, Moligand™

Storage

Armazenar a -20°C, carregado com árgon

Shipped In

Arca de gelo + almofadas de gelo

Especificações

Especificações e pureza

Moligand™, BioReagent

Mecanismos bioquímicos e fisiológicos

Antibiótico glicopeptídeo. Intercala-se no ADN bacteriano, induzindo quebras de cadeia dupla e morte celular.

Condições de armazenamento de armazenamento

Armazenar a -20°C, carregado com árgon

Enviado em

Arca de gelo + almofadas de gelo

Grau

BioReagent, Moligand™

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante uma semana. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o produto equilibrar-se à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Nomes e identificadores

Pubchem Sid

528775047

Sorrisos canónicos

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O

IUPAC Name

2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

InChIKey

QRBLKGHRWFGINE-UHFFFAOYSA-N

INCHI

1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)

SMILES isoméricas

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O

Peso molecular

1525.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid glycopeptides
• Alternative Parents: Histidine and derivatives Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha amino acids and derivatives Gamma amino acids and derivatives Alpha amino acid amides O-glycosyl compounds Disaccharides Beta amino acids and derivatives Pyrimidinecarboxylic acids and derivatives Thiazolecarboxamides 2-heteroaryl carboxamides Aralkylamines Aminopyrimidines and derivatives 2,4-disubstituted thiazoles Oxanes N-acyl amines Imidolactams 1,3-dicarbonyl compounds Thiazolines Tertiary alcohols Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Ketones Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid glycopeptide - Histidine or derivatives - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - N-acyl-alpha amino acid or derivatives - Gamma amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Disaccharide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Aralkylamine - Aminopyrimidine - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Imidolactam - 1,3-dicarbonyl compound - Pyrimidine - Oxane - N-acyl-amine - Fatty amide - Heteroaromatic compound - Meta-thiazoline - Thiazole - Tertiary alcohol - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Secondary aliphatic amine - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hybrid glycopeptides. These are compounds containing a carbohydrate component linked to a hybrid peptide component.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Peso molecular: 1326.400 g/mol
• XLogP3: -10.200
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 31
• Exact Mass: 1325.48 Da
• Monoisotopic Mass: 1325.48 Da
• Topological Polar Surface Area: 702.000 Ų
• Heavy Atom Count: 91
• Formal Charge: 0
• Complexity: 2650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 19
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1