Varespladib methyl - ≥99% , Phospholipase A2 group V inhibitor, CAS No.172733-08-3, Phospholipase A2 group V inhibitor

CAS: 172733-08-3 Cat. No.: V648406 Summenformel: C₂₂H₂₂N₂O₅ Molekulargewicht: 394.42 PubChem CID: 9886917

GRADE & PURITY ≥99%

Synonyms

Varespladib methyl | VARESPLADIB METHYL ESTER [MI] | Varespladib methyl (USAN) | Varespladib methyl ester | HY-17448 | SCHEMBL25678 | A-002 | SB16537 | methyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate | S 3013 | Methyl ((3-(am

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Varespladib methyl (A-002; LY333013) is a selective inhibitor of group II secretory phospholipase A2 ( PLA2 ).

In Vitro

Varespladib methyl (LY333013) is an orally-administered methyl ester pro-drug that is metabolized to LY315920. Varespladib and its orally bioavailable prodrug, Varespladib methyl (methyl-Varespladib) shows high-level secretory PLA2 (sPLA2) inhibition at nanomolar and picomolar concentrations against 28 medically important snake venoms from six continents. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:phospholipase A2 (PLA2)

Specifications

Synonyme

Varespladib methyl | VARESPLADIB METHYL ESTER [MI] | Varespladib methyl (USAN) | Varespladib methyl ester | HY-17448 | SCHEMBL25678 | A-002 | SB16537 | methyl 2-((3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yl)oxy)acetate | S 3013 | Methyl ((3-(am

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Varespladib methyl (A-002; LY333013) is a selective inhibitor of group II secretory phospholipase A2 ( PLA2 ).

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phospholipase A2 group V inhibitor

Reinheit

≥99%

Produkteigenschaften

ALogP

3.1

Namen und Kennungen

Kanonisches Lächeln

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N

IUPAC Name

methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate

InChIKey

VJYDOJXJUCJUHL-UHFFFAOYSA-N

INCHI

1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)

Isomere SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N

PubChem CID

9886917

Molekulargewicht

394.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: N-alkylindoles Indoles Phenol ethers Aryl ketones Alkyl aryl ethers Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxyacetate - N-alkylindole - Indole - Indole or derivatives - Aryl ketone - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Ketone - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (253.54 mM; Need ultrasonic)
• Molekulargewicht: 394.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 394.153 Da
• Monoisotopic Mass: 394.153 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 604.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 172733-08-3, the molecular formula is C22H22N2O5, and the molecular weight is 394.42 g/mol. InChIKey VJYDOJXJUCJUHL-UHFFFAOYSA-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.