LY-2940094 - Moligand™, ≥98% , Nociceptin receptor antagonist, CAS No.1307245-86-8, Nociceptin receptor antagonist

CAS: 1307245-86-8 Cat. No.: L412379 Formule: C₂₂H₂₃ClF₂N₄O₂S Poids moléculaire: 480.96

GRADE & PURITY Moligand™, ≥98%

Synonyms

1307245-86-8 | LY 2940094 - Bio-X | UNII-4I67US2V8Q | DTXSID201336137 | 2-(3-Methyl-4-((2-chloro-4,4-difluorospiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-1H-pyrazole-1-yl)pyridine-3-methanol | (2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

LY-2940094 is a potent, selective and orally available antagonist of nociceptin receptor (NOP receptor) with Ki of 0.105 nM and Kb of 0.166 nM. LY-2940094 reduces ethanol self-administration in animal models.

Specifications

Synonymes

1307245-86-8 | LY 2940094 - Bio-X | UNII-4I67US2V8Q | DTXSID201336137 | 2-(3-Methyl-4-((2-chloro-4,4-difluorospiro(5H-thieno(2,3-C)pyran-7,4'-piperidine)-1'-yl)methyl)-1H-pyrazole-1-yl)pyridine-3-methanol | (2-(4-((2-Chloro-4,4-difluoro-spiro(5H-thieno(2,

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

LY-2940094 is a potent, selective and orally available antagonist of nociceptin receptor (NOP receptor) with Ki of 0.105 nM and Kb of 0.166 nM. LY-2940094 reduces ethanol self-administration in animal models.

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.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Nociceptin receptor antagonist

Pureté

≥98%

Propriétés du produit

ALogP

3.1

Noms et identifiants

Pubchem Sid

528765325

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765325

Sourires canoniques

CC1=NN(C=C1CN2CCC3(CC2)C4=C(C=C(S4)Cl)C(CO3)(F)F)C5=C(C=CC=N5)CO

IUPAC Name

[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methanol

InChIKey

NKQHBJNRBKHUQR-UHFFFAOYSA-N

INCHI

1S/C22H23ClF2N4O2S/c1-14-16(11-29(27-14)20-15(12-30)3-2-6-26-20)10-28-7-4-21(5-8-28)19-17(9-18(23)32-19)22(24,25)13-31-21/h2-3,6,9,11,30H,4-5,7-8,10,12-13H2,1H3

Isomères SMILES

CC1=NN(C=C1CN2CCC3(CC2)C4=C(C=C(S4)Cl)C(CO3)(F)F)C5=C(C=CC=N5)CO

CAS alternatif

1307245-86-8

Termes d'entrée MeSH

2-(4-((2-chloro-4,4-difluorospiro(5H-thieno(2,3-c)pyran-7,4'-piperidine)-1'-yl)methyl)-3-methylpyrazol-1-yl)-3-pyridyl)methanol;LY2940094

Poids moléculaire

480.96

Reaxy-Rn

21412543

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21412543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Thienopyrans 2,3,5-trisubstituted thiophenes Aralkylamines Pyrans Piperidines Aryl chlorides Pyrazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organochlorides Aromatic alcohols Organofluorides Alkyl fluorides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-pyrazolylpyridine - Thienopyran - 2,3,5-trisubstituted thiophene - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Pyran - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Azacycle - Ether - Oxacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
• 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)

OPRL1 Tchem Nociceptin receptor (1 Activities)

Discover Target: OPRL1

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

Propriétés chimiques et physiques

• Poids moléculaire: 481.000 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 480.12 Da
• Monoisotopic Mass: 480.12 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 672.000
• 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