NAS-181 - ≥97% , CAS No.1217474-40-2

CAS: 1217474-40-2 Cat. No.: N288858 Summenformel: C₁₉H₂₆N₂O₄•2CH₃SO₃H Molekulargewicht: 538.63 PubChem CID: 45073445

QUALITÄT & REINHEIT ≥97%

Synonyms

SR-01000597970 | NAS-181 dimesylate | (2R)-2-[[[3-(4-Morpholinylmethyl)-2H-1-benzopyran-8-yl]oxy]methyl]morpholine dimethanesulfonate | 1217474-40-2 | NAS-181 (dimesylate) | MS-29936 | SR-01000597970-1 | HY-103156 | methanesulfonic acid;(2R)-2-[[3-(morpho

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

NAS181 ist ein potenter und selektiver Antagonist des 5-HT1B-Rezeptors der Ratte mit einem Ki von 47 nM. NAS181 zeigt eine 13-fache Selektivität für r5-HT1B gegenüber dem bovinen 5-HT1B-Rezeptor (Ki=630 nM). NAS181 erhöht den 5-HT-Umsatz und die synaptische Konzentration von 5-HT durch Hemmung der terminalen r5-HT1B-Autorezeptoren.

Spezifikationen

Synonyme

SR-01000597970 | NAS-181 dimesylate | (2R)-2-[[[3-(4-Morpholinylmethyl)-2H-1-benzopyran-8-yl]oxy]methyl]morpholine dimethanesulfonate | 1217474-40-2 | NAS-181 (dimesylate) | MS-29936 | SR-01000597970-1 | HY-103156 | methanesulfonic acid;(2R)-2-[[3-(morpho

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

Potenzieller, selektiver Antagonist am 5-HT1B-Rezeptor der Ratte (Ki= 47 nM). Erhöht die Synthese und den Metabolismus von 5-HT im Gehirn nach systemischer Verabreichung und verbessert die passive Vermeidungsleistung in vivo. Erhöht den subthalamischen Nu

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

ANTAGONIST

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CS(=O)(=O)O.CS(=O)(=O)O.C1COC(CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4

IUPAC Name

methanesulfonic acid;(2R)-2-[[3-(morpholin-4-ylmethyl)-2H-chromen-8-yl]oxymethyl]morpholine

InChIKey

WMRMIRRDPBKNMY-ZEECNFPPSA-N

INCHI

1S/C19H26N2O4.2CH4O3S/c1-2-16-10-15(12-21-5-8-22-9-6-21)13-25-19(16)18(3-1)24-14-17-11-20-4-7-23-17;2*1-5(2,3)4/h1-3,10,17,20H,4-9,11-14H2;2*1H3,(H,2,3,4)/t17-;;/m1../s1

Isomere SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CO[C@H](CN1)COC2=CC=CC3=C2OCC(=C3)CN4CCOCC4

PubChem CID

45073445

Molekulargewicht

538.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Phenol ethers Alkyl aryl ethers Morpholines Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 1-benzopyran - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 53.86, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 53.86, Max Conc. mM: 100
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 538.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 538.165 Da
• Monoisotopic Mass: 538.165 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 545.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 3

XLogP3

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.