CA77.1 - 10mM in DMSO , CAS No.2412270-22-3

CAS: 2412270-22-3 Cat. No.: C580324 Formula: C₁₆H₁₂ClN₃O Molecular Weight: 297.74

GRADE & PURITY 10mM in DMSO

Synonyms

2412270-22-3 | MS-24275 | EX-A7534 | N-(4-(6-Chloroquinoxalin-2-yl)phenyl)acetamide | CA77.1 | s6395 | DTXSID701336851 | N-[4-(6-Chloroquinoxalin-2-yl)phenyl]acetamide | AKOS040759645 | HY-134923 | SCHEMBL21793861

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

2412270-22-3 | MS-24275 | EX-A7534 | N-(4-(6-Chloroquinoxalin-2-yl)phenyl)acetamide | CA77.1 | s6395 | DTXSID701336851 | N-[4-(6-Chloroquinoxalin-2-yl)phenyl]acetamide | AKOS040759645 | HY-134923 | SCHEMBL21793861

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

CA77.1 is an orally available, brain penetrant, in vivo active and potent enhancer of chaperone-mediated autophagy (CMA). It improves pathology in Alzheimer′s Disease mouse models. CA77.1 activates CMA in vitro without affecting macroautophagy.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=N2)Cl
• IUPAC Name: N-[4-(6-chloroquinoxalin-2-yl)phenyl]acetamide
• InChIKey: ZQXMPDVGBWOTBY-UHFFFAOYSA-N
• INCHI: 1S/C16H12ClN3O/c1-10(21)19-13-5-2-11(3-6-13)16-9-18-15-8-12(17)4-7-14(15)20-16/h2-9H,1H3,(H,19,21)
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)C2=CN=C3C=C(C=CC3=N2)Cl
• Molecular Weight: 297.74
• Reaxy-Rn: 35873571
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35873571&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Acetanilides N-acetylarylamines O-quinonimines Pyrazines Secondary ketimines Heteroaromatic compounds Acetamides Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Quinonimine - O-quinonimine - Benzenoid - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Secondary ketimine - Ketimine - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 297.740 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 297.067 Da
• Monoisotopic Mass: 297.067 Da
• Topological Polar Surface Area: 54.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 371.000
• 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

Frequently Asked Questions

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 2412270-22-3, the molecular formula is C16H12ClN3O, and the molecular weight is 297.74 g/mol. InChIKey ZQXMPDVGBWOTBY-UHFFFAOYSA-N.

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.