Remdesivir - Moligand™, ≥98%(HPLC) , Replicase polyprotein 1ab inhibitor, CAS No.1809249-37-3, Replicase polyprotein 1ab inhibitor

CAS: 1809249-37-3 Cat. No.: R287694 Formula: C₂₇H₃₅N₆O₈P Peso molecolare: 602.58 Numero EC: 852-825-8 PubChem CID: 121304016

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

compound 4b [PMID: 28124907] | SCHEMBL17712225 | GS5734 | GS-5734 | HB9521 | (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl es

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

compound 4b [PMID: 28124907] | SCHEMBL17712225 | GS5734 | GS-5734 | HB9521 | (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl es

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

Viral RNA-dependent RNA polymerase inhibitor (RdRp) and broad spectrum antiviral nucleotide prodrug. Metabolized to active form,GS 441524. Exhibits activity against a range of RNA virusesin vitro(EC50values are 0.019, 0.07, 0.07 - 0.34, 0.086 - 0.14, and

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Replicase polyprotein 1ab inhibitor

Purezza

≥98%(HPLC)

Proprietà del prodotto

• ALogP: 1.9

Nomi e identificatori

• Pubchem Sid: 504772943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772943
• Sorrisi canonici: CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
• IUPAC Name: 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• InChIKey: RWWYLEGWBNMMLJ-YSOARWBDSA-N
• INCHI: 1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
• Isomeri SMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
• PubChem CID: 121304016
• Peso molecolare: 602.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: C-glycosyl compounds Alanine and derivatives Pentoses Pyrrolo[2,1-f][1,2,4]triazines Phosphoric diester monoamides Phenoxy compounds Substituted pyrroles Organic phosphoramides Imidolactams 1,2,4-triazines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Alanine or derivatives - Glycosyl compound - C-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,1-f][1,2,4]triazine - Phenoxy compound - Phosphoric diester monoamide - 1,2,4-triazine - Imidolactam - Organic phosphoric acid amide - Benzenoid - Triazine - Substituted pyrrole - Phosphoric acid ester - Organic phosphoric acid derivative - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Tetrahydrofuran - Pyrrole - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descrizione: 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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Obiettivi associati (non umani)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 60.26, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 12.05, Max Conc. mM: 20
• Peso molecolare: 602.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 14
• Exact Mass: 602.225 Da
• Monoisotopic Mass: 602.225 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Riferimenti

1. Yun-Lu Xu, Xue-Jian Li, Wei Cai, Wen-Ying Yu, Jing Chen, Qin Lee, Yong-Jun Choi, Fang Wu, Ying-Jun Lou, Hua-Zhong Ying, Chen-Huan Yu, Qiao-Feng Wu.  (2024)  Diosmetin-7-O-β-D-glucopyranoside from Pogostemonis Herba alleviated SARS-CoV-2-induced pneumonia by reshaping macrophage polarization and limiting viral replication.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:39182703] [10.1016/j.jep.2024.118704]

2. Dong Huijun, Pan Zihang, Jiao Pengtao, Ye Fei, Peng Qi, Yu Yanying, Lai Xinyuan, Li Huan, Guan Zhao, Deng Juan, Shen Tao, Tan Wenjie, Shi Yi, Ding Qiang, Luo Jianyuan, Li Tong, Zhuang Hui, Xiang Kuanhui.  (2025)  Vesicle-associated membrane protein 5 is an intrinsic defense factor for embryonic stem cells against coronaviruses.  Nature Communications,  16  (1): (1-20).  [PMID:40624080] [10.1038/s41467-025-61655-8]

3. Chen Zhu, Kun Fu, Hu Wen, Guangqi Chen, Henggui Zhang.  (2026)  Electrophysiological and Molecular Features of Remdesivir-Induced Cardiac Toxicity in Male and Female Guinea Pigs.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  27  (8): (3685).  [PMID:42074328] [10.3390/ijms27083685]