GI-566508 - 10mM in DMSO , CAS No.1164458-14-3

CAS: 1164458-14-3 Cat. No.: G420752 分子式: C₁₇H₁₇N₃S 分子量: 295.40198 PubChem CID: 5141879

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

EGFR kinase inhibitor

Specifications

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。

製品の性質

ALogP

4.426

HBD数

1

回転可能な結合

3

名前と識別子

カノニカル・スマイル

CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)OC)O2

IUPAC Name

2-methylpropyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

InChIKey

VTUBHADBCXCYLY-UHFFFAOYSA-N

INCHI

1S/C22H27NO5/c1-13(2)11-27-21(25)18-17-9-10-22(28-17)12-23(20(24)19(18)22)14(3)15-5-7-16(26-4)8-6-15/h5-10,13-14,17-19H,11-12H2,1-4H3

異性体SMILES

CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)OC)O2

PubChem CID

5141879

分子量

295.40198

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Phenoxy compounds Anisoles Methoxybenzenes Furopyrroles Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Oxolanes Dihydrofurans Furans Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Phenoxy compound - Anisole - Furopyrrole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Furan - Oxolane - Dihydrofuran - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Lactam - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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）

Plasmodium falciparum (966862 Activities)

Explore this target

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

• DMSO（mM） 最大溶解度: 10

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 1164458-14-3, the molecular formula is C17H17N3S, and the molecular weight is 295.40198 g/mol. InChIKey VTUBHADBCXCYLY-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.