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

CAS: 1231220-79-3 Cat. No.: L412378 Fórmula: C₂₂H₂₇ClN₆O Peso molecular: 426.94

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Mecanismo de ação

Cannabinoid CB2 receptor agonist

Pureza

≥98%

Propriedades do produto

ALogP

3.3

Nomes e identificadores

Pubchem Sid

528765344

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Liver microsome (341 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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