5,11-Dihydropyrido[2,3-b][1,4]benzodiazepin-6-one - ≥95% , CAS No.885-70-1

CAS: 885-70-1 Cat. No.: D195577 Molecular Weight: 211.22 EC Number: 212-944-2

GRADE & PURITY ≥95%

Synonyms

Z1509140757 | 11H-Pyrido[2,3-b][1,4]benzodiazepin-6(5H)-one | DTXSID70237083 | STK500086 | 5,11-Dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one | EN300-235767 | N-[1-(cyclopropylmethoxy)-4-hydroxy-2-oxo- | 5,11-dihydro-6H-pyrido-[2,3-b][1,4]-benzodiazepi

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Z1509140757 | 11H-Pyrido[2, 3-b][1, 4]benzodiazepin-6(5H)-one | DTXSID70237083 | STK500086 | 5, 11-Dihydro-6H-pyrido[2, 3-b][1, 4]benzodiazepin-6-one | EN300-235767 | N-[1-(cyclopropylmethoxy)-4-hydroxy-2-oxo- | 5, 11-dihydro-6H-pyrido-[2, 3-b][1, 4]-benzodiazepi

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=O)NC3=C(N2)N=CC=C3
• IUPAC Name: 5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
• InChIKey: MIRBIZDDMSFTKY-UHFFFAOYSA-N
• INCHI: 1S/C12H9N3O/c16-12-8-4-1-2-5-9(8)14-11-10(15-12)6-3-7-13-11/h1-7H,(H,13,14)(H,15,16)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)NC3=C(N2)N=CC=C3
• Molecular Weight: 211.22
• Reaxy-Rn: 612952
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=612952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Pyridodiazepines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido-para-diazepine - 1,4-benzodiazepine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 211.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 211.075 Da
• Monoisotopic Mass: 211.075 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 281.000
• 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