IDFP - A solution in methyl acetate , CAS No.615250-02-7

CAS: 615250-02-7 Cat. No.: I338125 Summenformel: C₁₅H₃₂FO₂P Molekulargewicht: 294.4

GRADE & PURITY A solution in methyl acetate

Synonyms

1-[fluoro(propan-2-yloxy)phosphoryl]dodecane | NP27DK66E8 | Propan-2-yl dodecylphosphonofluoridate | Phosphonofluoridic acid, dodecyl-, 1-methylethyl ester | CHEBI:185863 | Phosphonofluoridic acid, p-dodecyl-, 1-methylethyl ester | 1-[luoro(propan-2-yloxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

An organophosphorus compound that dually inhibits MAGL and FAAH with IC50 values of 0.8 and 3 nM, respectively.1 At 10 mg/kg, IDFP elevates brain levels of 2-AG and AEA more than 10-fold, and decreases levels of arachidonic acid by 10-fold.1

Specifications

Synonyme

1-[fluoro(propan-2-yloxy)phosphoryl]dodecane | NP27DK66E8 | Propan-2-yl dodecylphosphonofluoridate | Phosphonofluoridic acid, dodecyl-, 1-methylethyl ester | CHEBI:185863 | Phosphonofluoridic acid, p-dodecyl-, 1-methylethyl ester | 1-[luoro(propan-2-yloxy

Spezifikationen & Reinheit

A solution in methyl acetate

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCCCCCCCP(=O)(OC(C)C)F
• IUPAC Name: 1-[fluoro(propan-2-yloxy)phosphoryl]dodecane
• InChIKey: SFRALHFBKRAJPW-UHFFFAOYSA-N
• INCHI: 1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
• Isomere SMILES: CCCCCCCCCCCCP(=O)(OC(C)C)F
• Molekulargewicht: 294.4
• Reaxy-Rn: 9498724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9498724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphonic acid esters
• Alternative Parents: Alkylphosphonofluoridic acids and esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphonic acid ester - Alkylphosphonofluoridic acid or ester derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group, with the general structure ROP(=O)OH (R = organyl 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)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 57° C
• Molekulargewicht: 294.390 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 294.212 Da
• Monoisotopic Mass: 294.212 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 244.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1