NF 1819 - ≥98%(HPLC) , CAS No.1881244-28-5

CAS: 1881244-28-5 Cat. No.: N287392 Molecular Weight: 463.46 PubChem CID: 127032456

GRADE & PURITY ≥98%(HPLC)

Synonyms

(3R,4S)-rel-4-(1,3-Benzodioxol-5-yl)-3-(4-fluorophenyl)-1-[1-(1H)-1,2,4-triazol-1-carbonyl)-4-piperidinyl]-2-azetidinone | NF-1819 | NF1819 | MGL-IN-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(3R, 4S)-rel-4-(1, 3-Benzodioxol-5-yl)-3-(4-fluorophenyl)-1-[1-(1H)-1, 2, 4-triazol-1-carbonyl)-4-piperidinyl]-2-azetidinone | NF-1819 | NF1819 | MGL-IN-1

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective irreversible MAGL inhibitor (IC50values are 0.25 and 7.4 nM at rMAGL and hMAGL, respectively). Exhibits 389-fold selectivity over hFAAH and exhibits minimal binding at CB receptors (IC50> 10 μM). Alleviates symptoms in a MSin vivomode

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.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CN(CCC1N2C(C(C2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)N6C=NC=N6
• IUPAC Name: (3R,4S)-4-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
• InChIKey: XRIROGBLGLPXQI-FGZHOGPDSA-N
• INCHI: 1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
• Isomeric SMILES: C1CN(CCC1N2[C@@H]([C@H](C2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)N6C=NC=N6
• PubChem CID: 127032456
• Molecular Weight: 463.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Monobactams Phenylazetidines Piperidinecarboxamides Benzodioxoles Fluorobenzenes Aryl fluorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Organic carbonic acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monobactam - Stilbene - 3-phenylazetidine - 2-phenylazetidine - Benzodioxole - 1-piperidinecarboxamide - Piperidinecarboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Azole - Beta-lactam - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carbonic acid derivative - Lactam - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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)

MGLL Tchem Monoglyceride lipase (4 Activities)

Discover Target: MGLL

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

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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

ABHD12 Tchem Monoacylglycerol lipase ABHD12 (195 Activities)

Discover Target: ABHD12

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

Associated Targets(non-human)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Salmonella typhimurium (15756 Activities)

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

Mus musculus (284745 Activities)

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

Abhd6 Monoacylglycerol lipase ABHD6 (221 Activities)

Discover Target: Abhd6

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

Heart (171 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 46.35, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 23.17, Max Conc. mM: 50