Bay 36-7620 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 1 receptor, CAS No.232605-26-4, Allosteric modulator of mGlu 1 receptor

CAS: 232605-26-4 Cat. No.: B287003 Summenformel: C₁₉H₁₈O₂ Molekulargewicht: 278.35

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BDBM50212323 | GTPL1381 | 0P934RSF8B | (3aS,6aS)-5-methylidene-6a-[(naphthalen-2-yl)methyl]-hexahydro-1H-cyclopenta[c]furan-1-one | BAY-367620 | BAY-36-7620 | BAY36-7620 | SCHEMBL186260 | UNII-0P934RSF8B | 1H-Cyclopenta(C)furan-1-one, hexahydro-5-methylen

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

BDBM50212323 | GTPL1381 | 0P934RSF8B | (3aS,6aS)-5-methylidene-6a-[(naphthalen-2-yl)methyl]-hexahydro-1H-cyclopenta[c]furan-1-one | BAY-367620 | BAY-36-7620 | BAY36-7620 | SCHEMBL186260 | UNII-0P934RSF8B | 1H-Cyclopenta(C)furan-1-one, hexahydro-5-methylen

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

Selective mGlu1receptor non-competitive antagonist (IC50= 0.16μM) with inverse agonist activity. Impairs classical conditioning and associated synaptic plasticity in hippocampal neurons. Exhibits neuroprotective and anticonvulsive effectsin vivofollowing

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Note

Moligand™

Aktionsart

ALLOSTERIC MODULATOR

Mechanismus der Wirkung

Allosteric modulator of mGlu 1 receptor

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Kanonisches Lächeln: C=C1CC2COC(=O)C2(C1)CC3=CC4=CC=CC=C4C=C3
• IUPAC Name: (3aS,6aS)-5-methylidene-3a-(naphthalen-2-ylmethyl)-1,4,6,6a-tetrahydrocyclopenta[c]furan-3-one
• InChIKey: CVIRWLJKDBYYOG-MJGOQNOKSA-N
• INCHI: 1S/C19H18O2/c1-13-8-17-12-21-18(20)19(17,10-13)11-14-6-7-15-4-2-3-5-16(15)9-14/h2-7,9,17H,1,8,10-12H2/t17-,19+/m1/s1
• Isomere SMILES: C=C1C[C@@H]2COC(=O)[C@@]2(C1)CC3=CC4=CC=CC=C4C=C3
• Molekulargewicht: 278.35
• Reaxy-Rn: 48162084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48162084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Gamma butyrolactone - Oxolane - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 27.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.84, Max Conc. mM: 100
• Molekulargewicht: 278.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 278.131 Da
• Monoisotopic Mass: 278.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 454.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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