DD 03-171 - Moligand™, ≥98%(HPLC) , Inhibitor of Bruton tyrosine kinase, CAS No.2366132-45-6, Inhibitor of Bruton tyrosine kinase

CAS: 2366132-45-6 Cat. No.: D286727 分子式: C₅₅H₆₂N₁₀O₈ 分子量: 991.16 EC番号: 861-635-4

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

AKOS040754650 | DD-03-171 | BDBM50546201 | DD 03-171 | GTPL10535 | 4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

AKOS040754650 | DD-03-171 | BDBM50546201 | DD 03-171 | GTPL10535 | 4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]be

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Potent and selective BTK Degrader (IC50= 5.1 nM); degrades BTK in a proteasome- and CRBN-dependent manner. Suppresses BTK signaling and proliferation in mantle cell lymphoma (MCL) cells by degrading BTK, IKFZ1, and IKFZ3 (3 validated targets in B-cell mal

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

≥98%(HPLC)

名前と識別子

• カノニカル・スマイル: CN1C=C(N=C(NC2=CC=C(C=C2)C(=O)N2CCN(CCCCCCNC(=O)CNC3=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=CC=C3)CC2)C1=O)C1=C(C)C(NC(=O)C2=CC=C(C=C2)C(C)(C)C)=CC=C1
• InChIKey: QBPVFCNYKUENHU-UHFFFAOYSA-N
• 異性体SMILES: CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCN(CC5)CCCCCCNC(=O)CNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C
• 分子量: 991.16
• Reaxy-Rn: 33120100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33120100&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Alpha amino acid amides Phthalimides Phenylpropanes Isoindoles Benzamides Piperidinediones Benzoyl derivatives Aniline and substituted anilines Toluenes Secondary alkylarylamines N-alkylpiperazines Delta lactams Aminopyrazines N-substituted carboxylic acid imides Imidolactams Vinylogous amides Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Alpha-amino acid amide - Phthalimide - Isoindolone - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenylpropane - Isoindole or derivatives - Isoindole - Isoindoline - Benzoic acid or derivatives - Benzamide - Aniline or substituted anilines - Piperidinedione - Benzoyl - N-alkylpiperazine - Toluene - Secondary aliphatic/aromatic amine - Piperidinone - Delta-lactam - Aminopyrazine - Imidolactam - Pyrazine - Piperidine - Piperazine - Carboxylic acid imide, n-substituted - 1,4-diazinane - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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（人間）

BTK Tclin Tyrosine-protein kinase BTK (1 Activities)

Discover Target: BTK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 49.56, Max Conc. mM: 50