Name: CNX-774 - Moligand™, ≥99% , Inhibitor of Bruton tyrosine kinase, CAS No.1202759-32-7, Inhibitor of Bruton tyrosine kinase
SKU: C413725
Availability: InStock

CNX-774 - Moligand™, ≥99% , Inhibitor of Bruton tyrosine kinase, CAS No.1202759-32-7, Inhibitor of Bruton tyrosine kinase

CAS: 1202759-32-7 Cat. No.: C413725 分子式: C₂₆H₂₂FN₇O₃ 分子量: 499.5

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CNX-774 - Moligand™, ≥99% CAS No(1202759-32-7) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? ≥99%

Synonyms

4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Information

CNX-774 CNX-774 is an irreversible, orally active, and highly selective BTK inhibitor with IC50 of <1 nM.

Targets

BTK <1 nM

In vitro

In cellular assays, CNX-774 demonstrates potent inhibitory activity towards BTK with IC50 of 1-10 nM by targeting Cys-481 residue within the ATP binding site of the enzyme.

Specifications

同義語

4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

CNX-774 is an irreversible, orally active, and highly selective BTK inhibitor with IC50 of <1 nM.

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of Bruton tyrosine kinase

純度

≥99%

名前と識別子

パブケム・シド	504771722
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504771722
カノニカル・スマイル	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)F
IUPAC Name	4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
InChIKey	VVLHQJDAUIPZFH-UHFFFAOYSA-N
INCHI	1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
異性体SMILES	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)F
分子量	499.5
Reaxy-Rn	19928388
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19928388&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 分類 Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	Pyridinecarboxamides Anilides 2-heteroaryl carboxamides Phenoxy compounds Phenol ethers Aniline and substituted anilines N-arylamides Aminopyrimidines and derivatives Halopyrimidines Imidolactams Aryl fluorides Acrylic acids and derivatives Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diaryl ether - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Anilide - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Aniline or substituted anilines - N-arylamide - Aminopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Acrylic acid or derivatives - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors	Not available
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

3 D構造

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レビュー

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

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Lot Number	Certificate Type	日付	商品
G2219372	Certificate of Analysis	May 09, 2025	C413725
G2219374	Certificate of Analysis	May 09, 2025	C413725
G2219376	Certificate of Analysis	May 09, 2025	C413725

溶解度	Solubility (25°C) In vitro DMSO: 100 mg/mL (200.2 mM); Ethanol: 2 mg/mL (4.0 mM); Water: Insoluble;
分子量	499.500 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	499.177 Da
Monoisotopic Mass	499.177 Da
Topological Polar Surface Area	130.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	766.000
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	1