Inarigivir - ≥98% , CAS No.475650-36-3

CAS: 475650-36-3 Cat. No.: I412336 Formula: C₂₀H₂₆N₇O₁₀PS Peso molecolare: 587.5 PubChem CID: 6912016

GRADE & PURITY ≥98%

Synonyms

DB15062 | PD132575 | SB-40 | AKOS040759116 | EX-A3427 | TQ0A9FIV71 | D70024 | 2'-O-Methyl-p-thiouridylyl-(3'->5')-2'-deoxyadenosine | Inarigivir(ORI-9020,SB-9000) | 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Information

Inarigivir (SB9000, ORI-9020, SB-40) is a dinucleotide that significantly reduces liver HBV DNA in transgenic mice expressing hepatitis B virus.

Specifications

Sinonimi

DB15062 | PD132575 | SB-40 | AKOS040759116 | EX-A3427 | TQ0A9FIV71 | D70024 | 2'-O-Methyl-p-thiouridylyl-(3'->5')-2'-deoxyadenosine | Inarigivir(ORI-9020,SB-9000) | 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxy

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Inarigivir (SB9000, ORI-9020, SB-40) is a dinucleotide that significantly reduces liver HBV DNA in transgenic mice expressing hepatitis B virus.

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528769940
• Sorrisi canonici: COC1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O
• IUPAC Name: 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: LYMICVBGNUEHGE-FUQPUAIBSA-N
• INCHI: 1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1
• Isomeri SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O
• PubChem CID: 6912016
• Peso molecolare: 587.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe (3'->5')-dinucleotides and analogues
      • Subclass (3'->5')-dinucleotide phosphorothioates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: (3'->5')-dinucleotides and analogues
• Subclass: (3'->5')-dinucleotide phosphorothioates
• Intermediate Tree Nodes: Not available
• Direct Parent: (3'->5')-dinucleotide phosphorothioates
• Alternative Parents: Purine 2'-deoxyribonucleosides Glycosylamines 6-aminopurines Thiophosphate diesters Pyrimidones Aminopyrimidines and derivatives Primary aromatic amines Hydropyrimidines Imidolactams N-substituted imidazoles Monosaccharides Vinylogous amides Heteroaromatic compounds Oxolanes Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (3'->5')-dinucleotide phosphorothioate - Purine 2'-deoxyribonucleoside - Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Thiophosphate diester - Hydropyrimidine - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Primary aromatic amine - Pyrimidine - Organic thiophosphoric acid or derivatives - Imidolactam - Heteroaromatic compound - Vinylogous amide - Oxolane - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Alcohol - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as (3'->5')-dinucleotide phosphorothioates. These are compounds consisting of two ribose moieties connected one 5',3'-phosphomonothioic acid O,O'-diester bond. Each ribose unit is N-linked to a nucleic base or an analogue thereof.
• 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

Obiettivi associati (umani)

HFF (3142 Activities)

Explore this target

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

Liver (3974 Activities)

Explore this target

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

Obiettivi associati (non umani)

Vero (26788 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO
• Peso molecolare: 587.500 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 587.12 Da
• Monoisotopic Mass: 587.12 Da
• Topological Polar Surface Area: 258.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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