Compound A - ≥98% , CAS No.14593-25-0

CAS: 14593-25-0 Cat. No.: C276293 分子式: C₁₁H₁₄ClNO₂.HCl 分子量: 264.15 EC番号: 884-468-9 PubChem CID: 9838147

グレード＆純度 ≥98%

Synonyms

4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate, HCl | AKOS015888247 | Phenol, 4-(1-chloro-2-(methylamino)ethyl)-, acetate (ester), hydrochloride | DS-17232 | 4-[1-CHLORO-2-(METHYLAMINO)ETHYL]PHENYL ACETATE HYDROCHLORIDE | 4-(1-chloro-2-(methylamino)ethyl

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

4-[1-Chloro-2-(methylamino)ethyl]phenyl acetate, HCl | AKOS015888247 | Phenol, 4-(1-chloro-2-(methylamino)ethyl)-, acetate (ester), hydrochloride | DS-17232 | 4-[1-CHLORO-2-(METHYLAMINO)ETHYL]PHENYL ACETATE HYDROCHLORIDE | 4-(1-chloro-2-(methylamino)ethyl

仕様と純度

≥98%

生化学的・生理学的メカニズム

Cell-permeable, nonsteroidal glucocorticoid receptor (GR) modulator. Exhibits 4-fold higher binding affinity to GR than dexamethasone . Down modulates TNF-induced gene expression and shows immunosuppressant activity. Active in vitro .

保管条件

Store at -20°C,Desiccated

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

ACTIVATOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

カノニカル・スマイル

CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl

IUPAC Name

[4-[1-chloro-2-(methylamino)ethyl]phenyl] acetate;hydrochloride

InChIKey

WKMYTPCPAWZWII-UHFFFAOYSA-N

INCHI

1S/C11H14ClNO2.ClH/c1-8(14)15-10-5-3-9(4-6-10)11(12)7-13-2;/h3-6,11,13H,7H2,1-2H3;1H

異性体SMILES

CC(=O)OC1=CC=C(C=C1)C(CNC)Cl.Cl

PubChem CID

9838147

分子量

264.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Aralkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Alkyl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

• 溶解度: Soluble in water, in ethanol to 10 mM and in DMSO to 25 mM
• 分子量: 264.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 263.048 Da
• Monoisotopic Mass: 263.048 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 203.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3