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Elvitegravir (GS-9137, JTK-303) - ≥99%, high purity , Human immunodeficiency virus type 1 integrase inhibitor, CAS No.697761-98-1, Human immunodeficiency virus type 1 integrase inhibitor

1 Citations COA COA
In stock
Item Number
E126129
Grouped product items
SKU Size
Availability
 Price Qty
E126129-10mg
10mg
3
$97.90
E126129-50mg
50mg
2
$378.90
E126129-100mg
100mg
2
$678.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent quinolone HIV integrase inhibitor

View related series
Anti-infection (2803) HIV (254) HIV Integrase (29) Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Virus (1811)

Basic Description

Synonyms 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid | 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | BD
Specifications & Purity Moligand™, ≥99%
Biochemical and Physiological Mechanisms Elvitegravir is an inhibitor of HIV-1 integrase which is responsible for the strand-transfer step of integration. Studies indicate that Elvitegravir is effective against HIV-1 strains that are resistant to other agents such as nucleotide reverse-transcrip
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Human immunodeficiency virus type 1 integrase inhibitor
Product Description

Elvitegravir (GS-9137, JTK-303) is an HIV integrase inhibitor for HIV-1 IIIB, HIV-2 EHO and HIV-2 ROD with IC50 of 0.7 nM, 2.8 nM and 1.4 nM, respectively.
An HIV-1 integrase inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Quinolines and derivatives
Subclass Quinoline carboxylic acids
Intermediate Tree Nodes Not available
Direct Parent Quinoline carboxylic acids
Alternative Parents Hydroquinolones  Hydroquinolines  Pyridinecarboxylic acids  Anisoles  Alkyl aryl ethers  Chlorobenzenes  Fluorobenzenes  Aryl chlorides  Aryl fluorides  Vinylogous amides  Heteroaromatic compounds  Azacyclic compounds  Carboxylic acids  Monocarboxylic acids and derivatives  Organochlorides  Organopnictogen compounds  Primary alcohols  Organofluorides  Organic oxides  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organochloride - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors organofluorine compound - aromatic ether - monochlorobenzenes - quinolone - quinolinemonocarboxylic acid

Product Properties

ALogP 5.3

Associated Targets(Human)

C8166 (1658 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MT4 (17854 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pol Human immunodeficiency virus type 1 integrase (9041 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus 1 (70413 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus 2 (5592 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus (3636 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504763292
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763292
IUPAC Name 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
INCHI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N
Smiles CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
Isomeric SMILES CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
Molecular Weight 447.88
Reaxy-Rn 25499207
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25499207&ln=

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

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

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
B1526037 Certificate of Analysis Jun 12, 2024 E126129
L2325081 Certificate of Analysis Dec 29, 2023 E126129

Chemical and Physical Properties

Solubility DMSO ≥86mg/mL Water <1.2mg/mL Ethanol ≥85mg/mL
Molecular Weight 447.900 g/mol
XLogP3 5.300
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 447.125 Da
Monoisotopic Mass 447.125 Da
Topological Polar Surface Area 87.100 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 701.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Zhaohong Su, Shiyu Hu, Yanqun Xu, Ju Liu, Pengcheng Liang, Jiaqi Wang, Qinyi Cao, Yi Peng, Wei Zhang, Duoqing Fan.  (2024)  A smart portable electrochemical sensor based on electrodeposited ferrocene-functionalized multiwalled carbon nanotubes for in vitro and in vivo detection of nicotine in tobacco samples.  NEW JOURNAL OF CHEMISTRY,  48  (8): (3370-3380). 

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