BMS 986187 - Moligand™, ≥98%(HPLC) , Allosteric modulator of δ receptor;Allosteric modulator of μ receptor, CAS No.684238-37-7, Allosteric modulator of δ receptor;Allosteric modulator of μ receptor

CAS: 684238-37-7 Cat. No.: B287441 Formula: C₃₁H₃₄O₄ Peso molecolare: 470.61

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-1H-xanthene-1,8(2H)-dione | BMS986187 | BMS-986187

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-1H-xanthene-1,8(2H)-dione | BMS986187 | BMS-986187

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

Potentδ-opioid receptor positive allosteric modulator (EC50= 30 nM). Exhibits 100-fold selectivity forδoverμ-opioid receptor. Enhances affinity of[Leu5]-Enkephalin,SNC 80 and TAN 67 for theδ-opioid receptor.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR

Meccanismo d'azione

Allosteric modulator of δ receptor;Allosteric modulator of μ receptor

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504768577
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768577
• Sorrisi canonici: CC1=CC=CC=C1COC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
• IUPAC Name: 3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
• InChIKey: UEKIYVKPQNKSDI-UHFFFAOYSA-N
• INCHI: 1S/C31H34O4/c1-19-8-6-7-9-21(19)18-34-22-12-10-20(11-13-22)27-28-23(32)14-30(2,3)16-25(28)35-26-17-31(4,5)15-24(33)29(26)27/h6-13,27H,14-18H2,1-5H3
• Isomeri SMILES: CC1=CC=CC=C1COC2=CC=C(C=C2)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C
• Termini MeSH: BMS-986187
• Peso molecolare: 470.61
• Reaxy-Rn: 28330523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28330523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Cyclohexenones Alkyl aryl ethers Pyrans Vinylogous esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Cyclohexenone - Toluene - Monocyclic benzene moiety - Pyran - Vinylogous ester - Ketone - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Obiettivi associati (umani)

OPRD1 Tclin Delta-type opioid receptor (5 Activities)

Discover Target: OPRD1

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

OPRM1 Tclin Mu-type opioid receptor (1 Activities)

Discover Target: OPRM1

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

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

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

OPRD1 Tclin Delta opioid receptor (15096 Activities)

Discover Target: OPRD1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 9.41, Max Conc. mM: 20
• Peso molecolare: 470.600 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 470.246 Da
• Monoisotopic Mass: 470.246 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 876.000
• 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