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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Propiedades del producto

• ALogP: 1.089
• hba_count: 2
• Recuento HBD: 2
• Enlace rotable: 3

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 47
• DMSO (mM) Solubilidad máxima: 200.606086474028
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 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

Referencias

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]