LY 311727 - ≥97% , CAS No.164083-84-5

CAS: 164083-84-5 Cat. No.: L341884 Summenformel: C₂₂H₂₇N₂O₅P Molekulargewicht: 430.43

GRADE & PURITY ≥97%

Synonyms

(3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid | HY-107393 | NCGC00370857-01 | DTXSID80167706 | BDBM23771 | Ly 311727 | OPWQYOUZRHDKBR-UHFFFAOYSA-N | Phosphonic acid, (3-((3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

LY 311727 ist ein spezifischer sPLA2-Inhibitor der Gruppe II (Phospholipase A2 (PLA2)), von dem berichtet wurde, dass er die durch VEGF vermittelte Synthese des plättchenaktivierenden Faktors (PAF) in HUVEC- und BAEC-Zellen abschwächt.

Specifications

Synonyme

(3-{[1-benzyl-3-(carbamoylmethyl)-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid | HY-107393 | NCGC00370857-01 | DTXSID80167706 | BDBM23771 | Ly 311727 | OPWQYOUZRHDKBR-UHFFFAOYSA-N | Phosphonic acid, (3-((3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N
• IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxypropylphosphonic acid
• InChIKey: OPWQYOUZRHDKBR-UHFFFAOYSA-N
• INCHI: 1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
• Isomere SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCP(=O)(O)O)CC(=O)N
• WGK Deutschland: 3
• Molekulargewicht: 430.43
• Reaxy-Rn: 7607479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7607479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: 3-alkylindoles Alkyl aryl ethers Substituted pyrroles Benzene and substituted derivatives Organic phosphonic acids Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - 3-alkylindole - Indole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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)

PLA2G2A Tchem Phospholipase A2, membrane associated (4 Activities)

Discover Target: PLA2G2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLA2G2A Tchem Phospholipase A2 group IIA (1079 Activities)

Discover Target: PLA2G2A

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

Zugehörige Ziele (nicht menschlich)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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

Phospholipase A2 (Bee) (126 Activities)

Explore this target

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

Cavia porcellus (23802 Activities)

Explore this target

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

Phospholipase A2, acidic (39 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO (100 mM), and 1eq. NaOH (100 mM).
• Brechungsindex: n20D1.62 (Predicted)
• Molekulargewicht: 430.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 430.166 Da
• Monoisotopic Mass: 430.166 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 606.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 164083-84-5, the molecular formula is C22H27N2O5P, and the molecular weight is 430.43 g/mol. InChIKey OPWQYOUZRHDKBR-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.