Inosine Pranobex - 10mM in DMSO , CAS No.36703-88-5

CAS: 36703-88-5 Cat. No.: I423644 Peso molecular: 1115.25 Número EC: 253-162-1 PubChem CID: 135449284

GRADE & PURITY 10mM in DMSO

Synonyms

Inosine & 1-(dimethylamino)-2-propanol & 4-(acetylamino)benzoate (salt) (1:3:3) | Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3) | Inosiplex | Pranosina | Imunoviral | WLN: QR BG DG EG F1R BQ CG EG FG | 4-acetamidobenzoic acid;9-[(2R,3R

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Inosine & 1-(dimethylamino)-2-propanol & 4-(acetylamino)benzoate (salt) (1:3:3) | Inosine-2-hydroxypropyldimethylammonium 4-acetamidobenzoate (1:3) | Inosiplex | Pranosina | Imunoviral | WLN: QR BG DG EG F1R BQ CG EG FG | 4-acetamidobenzoic acid;9-[(2R, 3R

Especificaciones y pureza

10mM in DMSO

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.

Nombres e identificadores

• Sonrisas canónicas: CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O
• IUPAC Name: 4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol
• InChIKey: YLDCUKJMEKGGFI-QCSRICIXSA-N
• INCHI: 1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3/t4-,6-,7-,10-;;;;;;/m1....../s1
• Isómeros SMILES: CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
• PubChem CID: 135449284
• Peso molecular: 1115.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-oxopurines Pentoses Hypoxanthines Benzoic acids Benzoyl derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboximidic acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Pentose monosaccharide - Purinone - Hypoxanthine - Imidazopyrimidine - Benzoic acid or derivatives - Purine - Benzoic acid - Benzoyl - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Monosaccharide - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Oxacycle - Azacycle - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Alcohol - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Rotación específica [α]: -11° (C=1,H2O)
• Peso molecular: 1115.200 g/mol
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 14
• Exact Mass: 1114.55 Da
• Monoisotopic Mass: 1114.55 Da
• Topological Polar Surface Area: 399.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 658.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

XLogP3

Referencias

1. Song Zhu, Jian Li, Ai-Guo Huang, Ji-Qiu Huang, Yong-Quan Huang, Gao-Xue Wang.  (2019)  Anti-betanodavirus activity of isoprinosine and improved efficacy using carbon nanotubes based drug delivery system.  AQUACULTURE,      [PMID:] [10.1016/j.aquaculture.2019.734377]