JZP 430 - ≥98%(HPLC) , CAS No.1672691-74-5

CAS: 1672691-74-5 Cat. No.: J287504 Molecular Weight: 354.47

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-(4-Morpholinyl)-1,2,5-thiadiazol-3-ylN-cyclooctyl-N-methylcarbamate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-(4-Morpholinyl)-1, 2, 5-thiadiazol-3-ylN-cyclooctyl-N-methylcarbamate

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and irreversibleα/β-hydrolase domain 6 (ABHD6) inhibitor (IC50= 44 nM). Exhibits ~230-fold selectivity over fatty acid amide hydrolase (FAAH) and lysosomal acid lipase (LAL).

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

• Pubchem Sid: 504772958
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772958
• Canonical Smiles: CN(C1CCCCCCC1)C(=O)OC2=NSN=C2N3CCOCC3
• IUPAC Name: (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) N-cyclooctyl-N-methylcarbamate
• InChIKey: WKSHMJCYWFOADB-UHFFFAOYSA-N
• INCHI: 1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
• Isomeric SMILES: CN(C1CCCCCCC1)C(=O)OC2=NSN=C2N3CCOCC3
• Molecular Weight: 354.47
• Reaxy-Rn: 27868603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27868603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Morpholines Imidolactams Thiadiazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Morpholine - Oxazinane - Imidolactam - Azole - Thiadiazole - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Dialkyl ether - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Associated Targets(Human)

ABHD6 Tchem Monoacylglycerol lipase ABHD6 (6 Activities)

Discover Target: ABHD6

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

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 17.72, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 7.09, Max Conc. mM: 20
• Molecular Weight: 354.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 354.173 Da
• Monoisotopic Mass: 354.173 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 401.000
• 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