CPI-1189 - 10mM in DMSO , CAS No.183619-38-7

CAS: 183619-38-7 Cat. No.: C422253 分子式: C₁₃H₁₈N₂O₂ 分子量: 234.29

GRADE & PURITY 10mM in DMSO

Synonyms

3-(Methylmercapto)propan-1-ol | REN-1654 | Cpi 1189 | Q27272645 | BS-42420 | CPI1189 | CPI-1189 | AS-35332 | MFCD00774476 | CPI1189(REN-1189) | NCGC00241114-01 | 4-Acetamido-N-tert-butylbenzamide | BCP20741 | REN 1654, REN 1189 | Benzamide, 4-(acetylamino

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Information

CPI-1189 (REN 1654, REN 1189) is theproapoptotic cytokine tumor necrosis factor (TNF) alphainhibitor. CPI-1189 intracellularly inhibits the p38 mitogen-activated protein kinase phosphoactivation and shows neuroprotective effects.

Targets

TNF-alpha

Specifications

同義語

3-(Methylmercapto)propan-1-ol | REN-1654 | Cpi 1189 | Q27272645 | BS-42420 | CPI1189 | CPI-1189 | AS-35332 | MFCD00774476 | CPI1189(REN-1189) | NCGC00241114-01 | 4-Acetamido-N-tert-butylbenzamide | BCP20741 | REN 1654, REN 1189 | Benzamide, 4-(acetylamino

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

CPI-1189 (REN 1654, REN 1189) is the proapoptotic cytokine tumor necrosis factor (TNF) alpha inhibitor. CPI-1189 intracellularly inhibits the p38 mitogen-activated protein kinase phosphoactivation and shows neuroprotective effects.

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。

アクションタイプ

INHIBITOR

製品の性質

• ALogP: 1.089
• hba_count: 2
• HBD数: 2
• 回転可能な結合: 3

名前と識別子

• パブケム・シド: 528763812
• カノニカル・スマイル: CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
• IUPAC Name: 4-acetamido-N-tert-butylbenzamide
• InChIKey: DJKNRCWSXSZACF-UHFFFAOYSA-N
• INCHI: 1S/C13H18N2O2/c1-9(16)14-11-7-5-10(6-8-11)12(17)15-13(2,3)4/h5-8H,1-4H3,(H,14,16)(H,15,17)
• 異性体SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
• 分子量: 234.29
• Reaxy-Rn: 13676315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13676315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Acetanilides N-acetylarylamines Benzamides Benzoyl derivatives Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Acetanilide - Benzamide - Anilide - N-acetylarylamine - Benzoyl - N-arylamide - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

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

• DMSO（mg / mL） 最大溶解度: 47
• DMSO（mM） 最大溶解度: 200.606086474028
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 234.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 234.137 Da
• Monoisotopic Mass: 234.137 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 286.000
• 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

参考文献

1. Caiyu Ge, Yuefan Wang, Yilin Wang, Zhifang Liu, Chao Chen, Yixi Xie, Pengcheng Zhao, Junjie Fei.  (2025)  Enhanced adsorption and detection of luteolin based on Fe/Zn bimetallic ZIF-derived Fe-Fe3O4 nitrogen-doped mesoporous carbon in-situ grown on carbon nanofibers.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.164122]