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Tenofovir Alafenamide Hemifumarate - 10mM in DMSO, high purity , CAS No.1392275-56-7, Human immunodeficiency virus type 1 reverse transcriptase inhibitor

COA

Grade & Purity:

10mM in DMSO

Cas Number: 1392275-56-7
Molecular Weight: 1069
PubChem CID: 71492247

In stock

Item Number

T421476

Grouped product items
SKU	Size	Availability	Price	Qty
T421476-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

View related series

Compound libraries (12325) Virus (1811)

Basic Description

Synonyms	Tenofovir Alafenamide fumarate \| 1392275-56-7 \| Vemlidy \| GS-7340 Hemifumarate \| tenofovir alafenamide hemifumarate \| GS-7340-03 \| CHEBI:90923 \| FWF6Q91TZO \| TENOFOVIR ALAFENAMIDE FUMARATE (2:1) \| DESCOVY COMPONENT TENOFOVIR ALAFENAMIDE FUMARATE \| ODEFSEY COMPONENT TENOFOVIR
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads 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

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 Unsaturated fatty acids Phosphonic amide esters Dicarboxylic acids and derivatives Imidolactams N-substituted imidazoles Phosphonic acid esters Heteroaromatic compounds Carboxylic acid esters Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides Organophosphorus compounds Organopnictogen compounds
Molecular Framework	Not available
Substituents	Alpha-amino acid ester - Alanine or derivatives - 6-aminopurine - Imidazopyrimidine - Purine - Phenoxy compound - Aminopyrimidine - N-substituted imidazole - Phosphonic acid ester - Monocyclic benzene moiety - Pyrimidine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Phosphonic amide ester - Imidolactam - Benzenoid - Azole - Organophosphonic acid derivative - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid - Organoheterocyclic compound - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen 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
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

Names and Identifiers

IUPAC Name	(E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
INCHI	InChI=1S/2C21H29N6O5P.C4H4O4/c21-14(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;5-3(6)1-2-4(7)8/h25-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1
InChIKey	SVUJNSGGPUCLQZ-FQQAACOVSA-N
Smiles	CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3.CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O
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.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.C(=C/C(=O)O)\C(=O)O
Molecular Weight	1069
Reaxy-Rn	30889323
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30889323&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	1069.000 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	24
Rotatable Bond Count	26
Exact Mass	1068.4 Da
Monoisotopic Mass	1068.4 Da
Topological Polar Surface Area	362.000 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	799.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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	3

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