Peramivir Trihydrate - ≥99% , Neuraminidase inhibitor, CAS No.1041434-82-5, Neuraminidase inhibitor

CAS: 1041434-82-5 Cat. No.: P129200 Formula: C₁₅H₂₈N₄O₄·3H₂O Molecular Weight: 382.45

GRADE & PURITY ≥99%

Synonyms

PeramivirTrihydrate | Rapivab (TN) | BAICALEIN [USP-RS] | (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate | s2716 | (1S,2S,3R,4R)-3-((1S)-1-acetamido-2-ethylbutyl)-4-((amino(im

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Peramivir Trihydrate is a trihydrate of the anti-infection agent peramivir (RWJ-270201,BCX-1812) which is a transition-state analogue and a potent, specific influenza viral neuraminidase inhibitor with an IC50 of median 0.09 nM.

Specifications

Synonyms

PeramivirTrihydrate | Rapivab (TN) | BAICALEIN [USP-RS] | (1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate | s2716 | (1S,2S,3R,4R)-3-((1S)-1-acetamido-2-ethylbutyl)-4-((amino(im

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Peramivir is an experimental antiviral drug developed by BioCryst Pharmaceuticals for the treatment of influenza. It has been authorized for the emergency use of treatment of certain hospitalized patients with known or suspected 2009 H1N1

Storage

Protected from light,Store at -20°C,Argon charged

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

Neuraminidase inhibitor

Purity

≥99%

Names and Identifiers

Pubchem Sid

488197803

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197803

Canonical Smiles

CCC(CC)C(C1C(CC(C1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.O

IUPAC Name

(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate

InChIKey

RFUCJKFZFXNIGB-ZBBHRWOZSA-N

INCHI

1S/C15H28N4O4.3H2O/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23;;;/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19);3*1H2/t9-,10+,11+,12-,13+;;;/m0.../s1

Isomeric SMILES

CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C.O.O.O

Molecular Weight

382.45

Reaxy-Rn

30800735

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30800735&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Cyclopentanols Acetamides Secondary carboxylic acid amides Guanidines Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Beta-hydroxy acid - Cyclopentanol - Hydroxy acid - Cyclic alcohol - Acetamide - Carboxamide group - Guanidine - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• 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)

HEK293 (82097 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 0.2 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Sensitivity: Light & Air sensitive
• Molecular Weight: 382.450 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 382.243 Da
• Monoisotopic Mass: 382.243 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 460.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 4

XLogP3

Frequently Asked Questions

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

The CAS Number is 1041434-82-5, the molecular formula is C15H28N4O4·3H2O, and the molecular weight is 382.45 g/mol. InChIKey RFUCJKFZFXNIGB-ZBBHRWOZSA-N.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 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.