gamma-Secretase Modulators - ≥99% , CAS No.937812-80-1

CAS: 937812-80-1 Cat. No.: G648824 Formule: C₂₆H₂₄F₃N₃O₃ Poids moléculaire: 483.48 PubChem CID: 24781184

GRADE & PURITY ≥99%

Synonyms

(E)-(4R,9aS)-7-[3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-4-(3,4,5-trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6-one | AKOS030527021 | gamma-Secretase Modulators | (4R,7E,9aS)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

gamma-Secretase Modulators (Amyloid-β production inhibitor) is a Amyloid-β production inhibitor. gamma-Secretase Modulators is useful for Alzheimer's disease.IC50 value:Target: γ-secretase modulator

Form:Solid

Specifications

Synonymes

(E)-(4R,9aS)-7-[3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]-4-(3,4,5-trifluorophenyl)hexahydropyrido[2,1-c][1,4]oxazin-6-one | AKOS030527021 | gamma-Secretase Modulators | (4R,7E,9aS)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

gamma-Secretase Modulators (Amyloid-β production inhibitor) is a Amyloid-β production inhibitor. gamma-Secretase Modulators is useful for Alzheimer's disease.\nIC50 value:\nTarget: γ-secretase modulator

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCC4COCC(N4C3=O)C5=CC(=C(C(=C5)F)F)F)OC

IUPAC Name

(4R,7E,9aS)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-1,3,4,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-6-one

InChIKey

VHNYOQKVZQVBLC-RTCGXNAVSA-N

INCHI

1S/C26H24F3N3O3/c1-15-11-31(14-30-15)22-6-3-16(8-24(22)34-2)7-17-4-5-19-12-35-13-23(32(19)26(17)33)18-9-20(27)25(29)21(28)10-18/h3,6-11,14,19,23H,4-5,12-13H2,1-2H3/b17-7+/t19-,23-/m0/s1

Isomères SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CC[C@H]4COC[C@H](N4C3=O)C5=CC(=C(C(=C5)F)F)F)OC

CAS alternatif

937812-80-1

PubChem CID

24781184

Poids moléculaire

483.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Phenylimidazoles Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Delta lactams Fluorobenzenes Piperidinones Hydropyridines Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylmorpholine - 1-phenylimidazole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Delta-lactam - Fluorobenzene - Halobenzene - Piperidinone - Aryl fluoride - Hydropyridine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Piperidine - Aryl halide - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Imidazole - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 100 mg/mL (206.83 mM)
• Poids moléculaire: 483.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 483.177 Da
• Monoisotopic Mass: 483.177 Da
• Topological Polar Surface Area: 56.600 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 789.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 937812-80-1, the molecular formula is C26H24F3N3O3, and the molecular weight is 483.48 g/mol. InChIKey VHNYOQKVZQVBLC-RTCGXNAVSA-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.