Presatovir(GS-5806) - Moligand™, ≥98% , Fusion glycoprotein F0 inhibitor, CAS No.1353625-73-6, Fusion glycoprotein F0 inhibitor

CAS: 1353625-73-6 Cat. No.: P412601 Summenformel: C₂₄H₃₀ClN₇O₃S Molekulargewicht: 532.06 PubChem CID: 58029842

GRADE & PURITY Moligand™, ≥98%

Synonyms

GS 5806 | C72410 | SCHEMBL2738142 | AS-56181 | AC-36927 | UNII-9628AJ27JA | Presatovir (USAN/INN) | EX-A4885 | N-[2-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide | G

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

GS 5806 | C72410 | SCHEMBL2738142 | AS-56181 | AC-36927 | UNII-9628AJ27JA | Presatovir (USAN/INN) | EX-A4885 | N-[2-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide | G

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Presatovir (GS-5806) is a novel RSV fusion inhibitor with an average EC50 value of 0.43 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Fusion glycoprotein F0 inhibitor

Reinheit

≥98%

Produkteigenschaften

ALogP

2.4

Namen und Kennungen

Kanonisches Lächeln

CC1=CN2C(=CC(=N2)C3CCCCN3C(=O)C4=C(C=CC(=C4)Cl)NS(=O)(=O)C)N=C1N5CCC(C5)N

IUPAC Name

N-[2-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide

InChIKey

GOFXWTVKPWJNGD-UWJYYQICSA-N

INCHI

1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1

Isomere SMILES

CC1=CN2C(=CC(=N2)[C@@H]3CCCCN3C(=O)C4=C(C=CC(=C4)Cl)NS(=O)(=O)C)N=C1N5CC[C@@H](C5)N

PubChem CID

58029842

Molekulargewicht

532.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines 3-halobenzoic acids and derivatives Sulfanilides Benzamides Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Organosulfonamides Imidolactams Organic sulfonamides Tertiary carboxylic acid amides Heteroaromatic compounds Pyrazoles Pyrrolidines Vinylogous amides Aminosulfonyl compounds Amino acids and derivatives Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - Sulfanilide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - N-acyl-piperidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Piperidine - Imidolactam - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Pyrrolidine - Heteroaromatic compound - Pyrazole - Azole - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Primary amine - Amine - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
• 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

Zugehörige Ziele (menschlich)

Homo sapiens (32628 Activities)

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MT4 (17854 Activities)

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Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Human orthopneumovirus (392 Activities)

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Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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Respiratory syncytial virus (3434 Activities)

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Cynomolgus monkey (4946 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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Lung (9 Activities)

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F Fusion glycoprotein F0 (242 Activities)

Discover Target: F

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 532.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 531.182 Da
• Monoisotopic Mass: 531.182 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 905.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1353625-73-6, the molecular formula is C24H30ClN7O3S, and the molecular weight is 532.06 g/mol. InChIKey GOFXWTVKPWJNGD-UWJYYQICSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.