Methylcarbamyl-PAF - Moligand™, ≥98% , Agonist of PAF receptor, CAS No.91575-58-5, Agonist of PAF receptor

CAS: 91575-58-5 Cat. No.: M275051 Molecular Weight: 538.7

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-O-Hexadecyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine | Fourneau 190 | Q27085367 | NCGC00161384-02 | (R)-3-(hexadecyloxy)-2-(methylcarbamoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | NCGC00161384-03 | mcPlatelet activating factor | 1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. The product can be stored for up to 12 months.

Specifications

Synonyms

1-O-Hexadecyl-2-O-(N-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine | Fourneau 190 | Q27085367 | NCGC00161384-02 | (R)-3-(hexadecyloxy)-2-(methylcarbamoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | NCGC00161384-03 | mcPlatelet activating factor | 1

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of PAF receptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC
• IUPAC Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• InChIKey: FNFHZBKBDFRYHS-RUZDIDTESA-N
• INCHI: 1S/C26H55N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-32-23-25(35-26(29)27-2)24-34-36(30,31)33-22-20-28(3,4)5/h25H,6-24H2,1-5H3,(H-,27,29,30,31)/t25-/m1/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC
• Molecular Weight: 538.7
• Reaxy-Rn: 5175634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5175634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphocholines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphocholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerophosphocholines
• Alternative Parents: Phosphocholines Glycerol ethers Dialkyl phosphates Tetraalkylammonium salts Carbamate esters Organic carbonic acids and derivatives Dialkyl ethers Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycero-3-phosphocholine - Phosphocholine - Glycerol ether - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Quaternary ammonium salt - Carbamic acid ester - Tetraalkylammonium salt - Carbonic acid derivative - Ether - Dialkyl ether - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glycerophosphocholines. These are lipids containing a glycerol moiety carrying a phosphocholine at the 3-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

Associated Targets(Human)

PTAFR Tchem Platelet-activating factor receptor (0 Activities)

Discover Target: PTAFR

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Cruzipain (33337 Activities)

Explore this target

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: To change the solvent evaporate the ethanol under a gentle stream of nitrogen and immediately add DMSO or dimethyl formamide purged with an intert gas.\xa0The solubility in these solvents is 25 mg/ml
• Molecular Weight: 538.700 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 26
• Exact Mass: 538.375 Da
• Monoisotopic Mass: 538.375 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 565.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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