Tenofovir disoproxil fumarate - ≥98% , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.202138-50-9, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

CAS: 202138-50-9 Cat. No.: T302717 Peso molecular: 635.51 Número EC: 687-766-5 PubChem CID: 6398764

GRADE & PURITY ≥98%

Synonyms

DTXCID804289 | Tenofovir Disoproxil Fumarate | TENOFOVIR DISOPROXIL FUMARATE [EMA EPAR] | Cibacete Violet 2R | SMR003500786 | EVIPLERA COMPONENT TENOFOVIR DISOPROXIL FUMARATE | Tox21_112532 | 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)meth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXCID804289 | Tenofovir Disoproxil Fumarate | TENOFOVIR DISOPROXIL FUMARATE [EMA EPAR] | Cibacete Violet 2R | SMR003500786 | EVIPLERA COMPONENT TENOFOVIR DISOPROXIL FUMARATE | Tox21_112532 | 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)meth

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Tenofovir disoproxil fumarate (tenofovir DF) is a nucleotide analogue with activity against retroviruses, such as human immunodeficiency virus (HIV)-1, HIV-2 and hepadnaviruses. Tenofovir disoproxil fumarate is a prodrug of tenofovir, a nucleotide analog

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

Mecanismo de acción

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764105
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764105
• Sonrisas canónicas: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
• IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
• InChIKey: VCMJCVGFSROFHV-WZGZYPNHSA-N
• INCHI: 1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1
• Isómeros SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O
• PubChem CID: 6398764
• Peso molecular: 635.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Dialkyl alkylphosphonates Unsaturated fatty acids Phosphonic acid esters Carbonic acid diesters N-substituted imidazoles Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organophosphorus compounds Organopnictogen compounds Primary amines
• Molecular Framework: Not available
• Substituents: 6-aminopurine - Aminopyrimidine - Phosphonic acid diester - Dialkyl alkylphosphonate - Phosphonic acid ester - N-substituted imidazole - Pyrimidine - Unsaturated fatty acid - Imidolactam - Carbonic acid diester - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Organophosphonic acid derivative - Imidazole - Heteroaromatic compound - Azole - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: fumarate salt

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)

Caco-2 (12174 Activities)

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CEM-SS (2428 Activities)

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MT2 (2907 Activities)

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MT4 (17854 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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PBMC (10003 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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HepG2 2.2.15 (869 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Marmota monax (83 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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HBV genotype D (137 Activities)

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Woodchuck hepatitis virus (122 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O: 3 mg/mL, clear (warmed)
• Punto de fusión (°C): 113-115°C
• Peso molecular: 635.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 19
• Exact Mass: 635.184 Da
• Monoisotopic Mass: 635.184 Da
• Topological Polar Surface Area: 260.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 817.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Qiuhua Zhang, Lingyi Huang, Youjia Wu, Liying Huang, Xiaowen Xu, Renyi Lin.  (2022)  Study on Quality Control of Compound Anoectochilus roxburghii (Wall.) Lindl. by Liquid Chromatography–Tandem Mass Spectrometry.  MOLECULES,  27  (13): (4130).  [PMID:35807378] [10.3390/molecules27134130]