Rezafungin acetate - Moligand™, ≥98% , CAS No.1631754-41-0

CAS: 1631754-41-0 Cat. No.: R648318 Fórmula: C₆₅H₈₈N₈O₁₉ Peso molecular: 1285.44

GRADE & PURITY Moligand™, ≥98%

Synonyms

acetato de rezafungina | MXMWJAPNUIKPGF-MLAUIKIVSA-N | 2-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyph

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Visão geral

Rezafungin acetate (Biafungin acetate) is a next-generation, broad-spectrum, and long-lasting echinocandin. Rezafungin acetate shows potent antifungal activity against Candida spp. , Aspergillus spp. , and Pneumocystis spp..

In Vivo

Rezafungin acetate (Biafungin acetate) (1 mg/kg; i.p. once daily for 6 days) shows potent in vivo efficacy as prophylaxis against Pneumocystis in a mouse infection model . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: C3H/HeN mice Dosage: 1 mg/kg Administration: Intraperitoneal injection; once daily for 6 days Result: Significantly reduced nuclei and asci burdens.

Form:Solid

Specifications

Sinónimos

acetato de rezafungina | MXMWJAPNUIKPGF-MLAUIKIVSA-N | 2-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyph

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Rezafungin acetate (Biafungin acetate) is a next-generation, broad-spectrum, and long-lasting echinocandin. Rezafungin acetate shows potent antifungal activity against Candida spp. , Aspergillus spp. , and Pneumocystis spp..

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)OCC[N+](C)(C)C)O.CC(=O)[O-]
• IUPAC Name: 2-[[(3S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-21-yl]oxy]ethyl-trimethylazanium;acetate
• InChIKey: MXMWJAPNUIKPGF-MLAUIKIVSA-N
• INCHI: 1S/C63H84N8O17.C2H4O2/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81;1-2(3)4/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84);1H3,(H,3,4)/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51?,52-,53-,54-,55-,61+;/m0./s1
• SMILES isoméricas: CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)OCC[N+](C)(C)C)O.CC(=O)[O-]
• CAS alternativo: 1631754-41-0
• Peso molecular: 1285.44
• Reaxy-Rn: 30997182
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30997182&ln=

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 P-terphenyls Macrolactams N-acyl-alpha amino acids and derivatives Biphenyls and derivatives Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tetraalkylammonium salts Pyrrolidines Tertiary carboxylic acid amides Secondary alcohols Lactams Secondary carboxylic acid amides Polyols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic zwitterions Organopnictogen compounds Amines Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - Para-terphenyl - Terphenyl - Macrolactam - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Pyrrolidine - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactam - Polyol - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Aromatic alcohol - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - Organopnictogen compound - Amine - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
• Descrição: 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: 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

• Solubilidade: DMSO : 230 mg/mL (178.93 mM; Need ultrasonic)
• Sensibilidade: Moisture sensitive