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 분자식: C₂₁H₂₉N₆O₅P 분자량: 476.47 EC 번호: 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

개요

Product Describtion:

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

작동 메커니즘

Human immunodeficiency virus type 1 reverse transcriptase inhibitor

제품 특성

ALogP

1.9

이름과 식별자

Pubchem Sid

528772076

정식 스마일

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

이성체 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

분자량

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
    • 분류 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
• 분류: 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
• 설명: 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

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CTSA Tchem Lysosomal protective protein (919 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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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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작용 메커니즘

화학 및 물리적 특성

• 분자량: 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