MAT2A inhibitor 2 , CAS No.13299-99-5

CAS: 13299-99-5 Cat. No.: M413530 Formule: C₁₈H₂₄ClN₃O₃ Poids moléculaire: 365.9

Synonyms

3(2H)-Pyridazinone, 6-(m-methoxyphenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride | 6-(3-Methoxyphenyl)-4-methyl-2-(2-morpholinoethyl)pyridazin-3(2H)-one xhydrochloride | AG-270(MAT2A inhibitor 1) | 3(2H)-Pyridazinone, 6-(m-methoxyphenyl)-4-methyl-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

MAT2A inhibitor 2 is an inhibitor of methionine adenosyltransferase 2A (MAT2A).

Spécifications

Synonymes

3(2H)-Pyridazinone, 6-(m-methoxyphenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride | 6-(3-Methoxyphenyl)-4-methyl-2-(2-morpholinoethyl)pyridazin-3(2H)-one xhydrochloride | AG-270(MAT2A inhibitor 1) | 3(2H)-Pyridazinone, 6-(m-methoxyphenyl)-4-methyl-2-

Mécanismes biochimiques et physiologiques

MAT2A inhibitor 2 is an inhibitor of methionine adenosyltransferase 2A (MAT2A).

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.

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)OC.Cl

IUPAC Name

6-(3-methoxyphenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride

InChIKey

REOUTEBTFSILJY-UHFFFAOYSA-N

INCHI

1S/C18H23N3O3.ClH/c1-14-12-17(15-4-3-5-16(13-15)23-2)19-21(18(14)22)7-6-20-8-10-24-11-9-20;/h3-5,12-13H,6-11H2,1-2H3;1H

Isomères SMILES

CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)OC.Cl

Poids moléculaire

365.9

Reaxy-Rn

4058774

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4058774&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridazines
• Alternative Parents: Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyridazinones Morpholines Heteroaromatic compounds Lactams Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyridazine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Heteroaromatic compound - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
• 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

• Poids moléculaire: 365.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 365.151 Da
• Monoisotopic Mass: 365.151 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 512.000
• 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: 2

XLogP3

Foire aux questions

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.

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

The CAS Number is 13299-99-5, the molecular formula is C18H24ClN3O3, and the molecular weight is 365.9 g/mol. InChIKey REOUTEBTFSILJY-UHFFFAOYSA-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.