GS-7340 - 10mM in DMSO , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.379270-37-8, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

CAS: 379270-37-8 Cat. No.: G423709 Molecular Weight: 476.47 EC Number: 898-851-3

GRADE & PURITY 10mM in DMSO

Synonyms

TENOFOVIR ALAFENAMIDE [MI] | 1ST157798D5 | NCGC00390564-03 | (S)-Isopropyl 2-((S)-(((R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate | AKOS016009341 | EN300-7398411 | CCG-269506 | Fenpropimorph 10 microg/mL in Acetoni

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Describtion:

Tenofovir alafenamide (GS-7340) is an investigational oral proagent of Tenofovir. Tenofovir is a HIV-1 nucleotide reverse transcriptase inhibitor.

Specifications

Synonyms

TENOFOVIR ALAFENAMIDE [MI] | 1ST157798D5 | NCGC00390564-03 | (S)-Isopropyl 2-((S)-(((R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate | AKOS016009341 | EN300-7398411 | CCG-269506 | Fenpropimorph 10 microg/mL in Acetoni

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Tenofovir alafenamide (TAF; GS-7340) is an isopropylalaninyl phenyl ester prodrug of the nucleotide analog reverse transcriptase inhibitor (nRTI) tenofovir (TFV) against human immunodeficiency virus (HIV) and hepatitis B virus (HBV). GS-7340 more efficien

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

Product Properties

• ALogP: 1.9

Names and Identifiers

• Canonical Smiles: CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3
• IUPAC Name: propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
• InChIKey: LDEKQSIMHVQZJK-CAQYMETFSA-N
• INCHI: 1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1
• Isomeric SMILES: C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3
• Molecular Weight: 476.47
• Reaxy-Rn: 36701288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36701288&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Alanine and derivatives 6-aminopurines Phenoxy compounds Aminopyrimidines and derivatives Phosphonic amide esters Phosphonic acid esters N-substituted imidazoles Imidolactams Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organophosphorus compounds Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - 6-aminopurine - Purine - Imidazopyrimidine - Phenoxy compound - Aminopyrimidine - Phosphonic acid ester - Monocyclic benzene moiety - N-substituted imidazole - Phosphonic amide ester - Imidolactam - Benzenoid - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Organophosphonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organophosphorus compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Associated Targets(Human)

Homo sapiens (32628 Activities)

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MT2 (2907 Activities)

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PBMC (10003 Activities)

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Liver (3974 Activities)

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CTSA Tchem Lysosomal protective protein (919 Activities)

Discover Target: CTSA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Plasma (328 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 476.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 476.194 Da
• Monoisotopic Mass: 476.194 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 680.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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