LY2828360 - ≥98% , Cannabinoid CB2 receptor agonist, CAS No.1231220-79-3, Cannabinoid CB2 receptor agonist

CAS: 1231220-79-3 Cat. No.: L412378 Summenformel: C₂₂H₂₇ClN₆O Molekulargewicht: 426.94

GRADE & PURITY ≥98%

Synonyms

1231220-79-3 | HY-16642A | SCHEMBL2486504 | UCMNDPDJRSEZPL-UHFFFAOYSA-N | BDBM50006250 | UNII-O12H7VFU6P | 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine | LY 2828360; LY-2828360 | O12H7VFU6P | 8-(2-Chloro-phenyl)-2-methyl-6-(4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

1231220-79-3 | HY-16642A | SCHEMBL2486504 | UCMNDPDJRSEZPL-UHFFFAOYSA-N | BDBM50006250 | UNII-O12H7VFU6P | 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine | LY 2828360; LY-2828360 | O12H7VFU6P | 8-(2-Chloro-phenyl)-2-methyl-6-(4

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

LY2828360 is a slowly acting but efficacious agonist of G protein-biased cannabinoid (CB2). LY2828360 inhibits cAMP accumulation and activates ERK1/2 signaling.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

AGONIST

Mechanismus der Wirkung

Cannabinoid CB2 receptor agonist

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.3

Namen und Kennungen

• Pubchem Sid: 528765344
• Kanonisches Lächeln: CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl
• IUPAC Name: 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)purine
• InChIKey: UCMNDPDJRSEZPL-UHFFFAOYSA-N
• INCHI: 1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
• Isomere SMILES: CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl
• Molekulargewicht: 426.94
• Reaxy-Rn: 20349517
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20349517&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Phenylimidazoles 6-alkylaminopurines Dialkylarylamines N-methylpiperazines Aminopyrimidines and derivatives Chlorobenzenes Oxanes N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - 2-phenylimidazole - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Oxane - Imidolactam - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Dialkyl ether - Ether - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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)

CNR2 Tchem Cannabinoid receptor 2 (5 Activities)

Discover Target: CNR2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Zugehörige Ziele (nicht menschlich)

Canis familiaris (36305 Activities)

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

Rattus norvegicus (775804 Activities)

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

Liver microsome (341 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

• Molekulargewicht: 426.900 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 426.193 Da
• Monoisotopic Mass: 426.193 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 570.000
• 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