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

CAS: 13299-99-5 Cat. No.: M413530 分子式: C₁₈H₂₄ClN₃O₃ 分子量: 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

概要

Information

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

Specifications

同義語

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-

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC(=CC=C3)OC.Cl
• 分子量: 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
    • 分類 Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.