Lorediplon - Moligand™, ≥98% , CAS No.917393-39-6

CAS: 917393-39-6 Cat. No.: L412396 Fórmula: C₂₀H₁₅FN₄O₂S Peso molecular: 394.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

Acetamide, N-(2-fluoro-5-(3-(2-thienylcarbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-methyl- | N-(2-Fluoro-5-(3-(thiophene-2-carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-methylacetamide | SB16784 | DTXSID00238684 | N-[2-fluoro-5-[3-(thiophene-2-carb

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Lorediplon, a novel non-benzodiazepine hypnotic drug, is a modulator of GABAA receptor. Lorediplon is differentially active at the alpha1-subunit and associated with promoting sleep.

Specifications

Sinónimos

Acetamide, N-(2-fluoro-5-(3-(2-thienylcarbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-methyl- | N-(2-Fluoro-5-(3-(thiophene-2-carbonyl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-methylacetamide | SB16784 | DTXSID00238684 | N-[2-fluoro-5-[3-(thiophene-2-carb

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Lorediplon, a novel non-benzodiazepine hypnotic drug, is a modulator of GABAA receptor. Lorediplon is differentially active at the alpha1-subunit and associated with promoting sleep.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528772936
• Sorrisos canónicos: CC(=O)N(C)C1=C(C=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4)F
• IUPAC Name: N-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
• InChIKey: NQPOCLFSADOXBR-UHFFFAOYSA-N
• INCHI: 1S/C20H15FN4O2S/c1-12(26)24(2)17-10-13(5-6-15(17)21)16-7-8-22-20-14(11-23-25(16)20)19(27)18-4-3-9-28-18/h3-11H,1-2H3
• SMILES isoméricas: CC(=O)N(C)C1=C(C=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4)F
• Peso molecular: 394.42
• Reaxy-Rn: 12770289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12770289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: O-haloacetanilides Pyrazolo[1,5-a]pyrimidines Aryl ketones Thiophene carboxylic acids and derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Acetamides Vinylogous amides Pyrazoles Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - O-haloacetanilide - Haloacetanilide - Acetanilide - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Anilide - Thiophene carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Acetamide - Pyrazole - Azole - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO: 100 mg/mL (253.54 mM)
• Sensibilidade: Moisture sensitive
• Peso molecular: 394.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 394.09 Da
• Monoisotopic Mass: 394.09 Da
• Topological Polar Surface Area: 95.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 609.000
• 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