Efaproxiral Sodium - 10mM in DMSO , CAS No.170787-99-2

CAS: 170787-99-2 Cat. No.: E580381 分子式: C₂₀H₂₂NNaO₄ 分子量: 363.39 EC番号: 811-228-2

グレード＆純度 10mM in DMSO

Synonyms

CCG-268204 | sodium 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]-2-methyl-propanoate | AS-56984 | Efaproxiral sodium (USAN) | FT-0658052 | HMS3652L04 | 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid mo

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

仕様

同義語

CCG-268204 | sodium 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]phenoxy]-2-methyl-propanoate | AS-56984 | Efaproxiral sodium (USAN) | FT-0658052 | HMS3652L04 | 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid mo

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

カノニカル・スマイル

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]

IUPAC Name

sodium;2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate

InChIKey

SWDPIHPGORBMFR-UHFFFAOYSA-M

INCHI

1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1

異性体SMILES

CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]

分子量

363.39

Reaxy-Rn

8959239

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8959239&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenylacetamides Anilides m-Xylenes Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic sodium salts
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenylacetamide - Anilide - Phenol ether - N-arylamide - Phenoxy compound - Xylene - M-xylene - Alkyl aryl ether - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic sodium salt - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive；Air sensitive
• 分子量: 363.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 363.145 Da
• Monoisotopic Mass: 363.145 Da
• Topological Polar Surface Area: 78.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 464.000
• 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 ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 170787-99-2, the molecular formula is C20H22NNaO4, and the molecular weight is 363.39 g/mol. InChIKey SWDPIHPGORBMFR-UHFFFAOYSA-M.

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.