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 분자식: C₁₉H₁₈O₂ 분자량: 278.35

등급 & 순도 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

사양

동의어

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

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

ALLOSTERIC MODULATOR

작동 메커니즘

Allosteric modulator of mGlu 1 receptor

순수함

≥98%(HPLC)

이름과 식별자

정식 스마일

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

이성체 SMILES

C=C1C[C@@H]2COC(=O)[C@@]2(C1)CC3=CC4=CC=CC=C4C=C3

분자량

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
    • 분류 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 27.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 27.84, Max Conc. mM: 100
• 분자량: 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