R-7128 - ≥98% , Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor, CAS No.940908-79-2, Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

CAS: 940908-79-2 Cat. No.: R127536 Molecular Weight: 399.41 PubChem CID: 16122663

GRADE & PURITY ≥98%

Synonyms

2'.ALPHA.-FLUORO-2'.BETA.-METHYL-3',5'-DIISOBUTYRYLDEOXYCYTIDINE | 3',5'-DIISOBUTYRYL PSI6130 | AKOS027314064 | DTXSID201025655 | R-7128,CAS:940908-79-2 | Gosogliptin (USAN/INN) | Q21099044 | RO5024048 | RO-5024048 | SCHEMBL811260 | (2R,3R,4R,5R)-5-(4-Ami

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Mericitabine (RG 7128; R-7128) is a nucleoside inhibitor of the HCV NS5B polymerase that acts as an RNA chain terminator and prevents elongation of RNA transcripts during replication.

Specifications

Synonyms

2'.ALPHA.-FLUORO-2'.BETA.-METHYL-3', 5'-DIISOBUTYRYLDEOXYCYTIDINE | 3', 5'-DIISOBUTYRYL PSI6130 | AKOS027314064 | DTXSID201025655 | R-7128, CAS:940908-79-2 | Gosogliptin (USAN/INN) | Q21099044 | RO5024048 | RO-5024048 | SCHEMBL811260 | (2R, 3R, 4R, 5R)-5-(4-Ami

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

R-7128(RG 7128; Mericitabine; PSI 6130 diisobutyrate)is RNA-directed RNA polymerase (NS5B) inhibitor treatment of hepatitis C virus infection. R-7128 (RG 7128; Mericitabine; PSI 6130 diisobutyrate) is useful for antiviral agents

Storage

Store at -20°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

Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

Purity

≥98%

Product Properties

• ALogP: 1.3

Names and Identifiers

• Canonical Smiles: CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
• IUPAC Name: [(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
• InChIKey: MLESJYFEMSJZLZ-MAAOGQSESA-N
• INCHI: 1S/C18H26FN3O6/c1-9(2)14(23)26-8-11-13(28-15(24)10(3)4)18(5,19)16(27-11)22-7-6-12(20)21-17(22)25/h6-7,9-11,13,16H,8H2,1-5H3,(H2,20,21,25)/t11-,13-,16-,18-/m1/s1
• Isomeric SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
• PubChem CID: 16122663
• Molecular Weight: 399.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organopnictogen compounds Primary amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Aminopyrimidine - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Primary amine - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• 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)

Huh-7 (12904 Activities)

Explore this target

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

HEp-2 (3859 Activities)

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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

Hepatitis C virus (23859 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 399.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 399.181 Da
• Monoisotopic Mass: 399.181 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 707.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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