Vasicinone - ≥98% , CAS No.486-64-6

CAS: 486-64-6 Cat. No.: V334596 Formule: C₁₁H₁₀N₂O₂ Poids moléculaire: 202.2 Numéro CE: 683-100-2 PubChem CID: 442935

GRADE & PURITY ≥98%

Synonyms

(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | E80802 | (3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | AKOS030485960 | G6T5819NXM | XV164987 | 3-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CHEBI:9936 | Q15427947

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | E80802 | (3R)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one | AKOS030485960 | G6T5819NXM | XV164987 | 3-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CHEBI:9936 | Q15427947

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528776659
• Sourires canoniques: C1CN2C(=NC3=CC=CC=C3C2=O)C1O
• IUPAC Name: (3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
• InChIKey: SDIVYZXRQHWCKF-VIFPVBQESA-N
• INCHI: 1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
• Isomères SMILES: C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O
• PubChem CID: 442935
• Poids moléculaire: 202.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones Benzenoids Heteroaromatic compounds Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Secondary alcohol - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• External Descriptors: Quinazoline alkaloids

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

Cibles associées (humaines)

HL-60 (67320 Activities)

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PC-3 (62116 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 202.210 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.074 Da
• Monoisotopic Mass: 202.074 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 327.000
• 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: 1