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

CAS: 1231220-79-3 Cat. No.: L412378 Formule: C₂₂H₂₇ClN₆O Poids moléculaire: 426.94

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Mécanisme d'action

Cannabinoid CB2 receptor agonist

Pureté

≥98%

Propriétés du produit

ALogP

3.3

Noms et identifiants

Pubchem Sid

528765344

Sourires canoniques

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

Isomères SMILES

CC1=NC2=C(C(=N1)N3CCN(CC3)C)N=C(N2C4CCOCC4)C5=CC=CC=C5Cl

Poids moléculaire

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
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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