MK-0657 - ≥97% , Glutamate NMDA receptor; GRIN1/GRIN2B antagonist, CAS No.808732-98-1, Glutamate NMDA receptor; GRIN1/GRIN2B antagonist

CAS: 808732-98-1 Cat. No.: M177504 Summenformel: C₁₉H₂₃FN₄O₂ Molekulargewicht: 358.417

GRADE & PURITY ≥97%

Synonyms

RISLENEMDAZ [INN] | HY-106441A | DB12063 | CERC-301 | 1-Piperidinecarboxylic acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl ester, (3S,4R)- | 3-acetyl benzene boronic acid | 4-(phenylmethoxy)benzeneboronic acid | AS-35130 | MK-0657

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

RISLENEMDAZ [INN] | HY-106441A | DB12063 | CERC-301 | 1-Piperidinecarboxylic acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl ester, (3S,4R)- | 3-acetyl benzene boronic acid | 4-(phenylmethoxy)benzeneboronic acid | AS-35130 | MK-0657

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Glutamate NMDA receptor; GRIN1/GRIN2B antagonist

Reinheit

≥97%

Produkteigenschaften

• ALogP: 3.1

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)F)CNC3=NC=CC=N3
• IUPAC Name: (4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
• InChIKey: RECBFDWSXWAXHY-IAGOWNOFSA-N
• INCHI: 1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
• Isomere SMILES: CC1=CC=C(C=C1)COC(=O)N2CC[C@@H]([C@@H](C2)F)CNC3=NC=CC=N3
• Molekulargewicht: 358.417
• Reaxy-Rn: 29389273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29389273&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Piperidinecarboxylic acids Toluenes Aminopyrimidines and derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Piperidinecarboxylic acid - Aminopyrimidine - Toluene - Piperidine - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 358.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.181 Da
• Monoisotopic Mass: 358.181 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 439.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 808732-98-1, the molecular formula is C19H23FN4O2, and the molecular weight is 358.417 g/mol. InChIKey RECBFDWSXWAXHY-IAGOWNOFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.