CU-CPT-8m - Moligand™, ≥99% , Inhibitor of TLR8, CAS No.125079-83-6, Inhibitor of TLR8

CAS: 125079-83-6 Cat. No.: C413116 分子式: C₁₄H₁₂N₄O 分子量: 252.27

GRADE & PURITY Moligand™, ≥99%

Synonyms

CPD1578 | 7-(3-methylphenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

CU-CPT-8m CU-CPT-8m (CPD1578) is a specific antagonist of toll-like receptor 8(TLR8) with IC50 of 67 nM and Kd of 220 nM.

Targets

TLR8 (Cell-free assay); TLR8 (Cell-free assay) 67 nM; 220 nM(Ki)

Specifications

同義語

CPD1578 | 7-(3-methylphenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxamide

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

CU-CPT-8m (CPD1578) is a specific antagonist of toll-like receptor 8(TLR8) with IC50 of 67 nM and Kd of 220 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 TLR8

純度

≥99%

名前と識別子

• パブケム・シド: 504767761
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504767761
• カノニカル・スマイル: CC1=CC(=CC=C1)C2=CC=NC3=C(C=NN23)C(=O)N
• IUPAC Name: 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• InChIKey: HNKGGVGQAVODNJ-UHFFFAOYSA-N
• INCHI: 1S/C14H12N4O/c1-9-3-2-4-10(7-9)12-5-6-16-14-11(13(15)19)8-17-18(12)14/h2-8H,1H3,(H2,15,19)
• 異性体SMILES: CC1=CC(=CC=C1)C2=CC=NC3=C(C=NN23)C(=O)N
• 分子量: 252.27
• Reaxy-Rn: 13642917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13642917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Pyrazole-4-carboxamides Toluenes Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazole-4-carboxamide - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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）

TLR8 Tchem Toll-like receptor 8 (2 Activities)

Discover Target: TLR8

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

TLR8 Tchem Toll-like receptor 8 (1853 Activities)

Discover Target: TLR8

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

関連ターゲット（非人間）

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

• 溶解度: Solubility (25°C) In vitro DMSO: 6 mg/mL (23.78 mM); Water: Insoluble; Ethanol: Insoluble
• 分子量: 252.270 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.101 Da
• Monoisotopic Mass: 252.101 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 348.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 125079-83-6, the molecular formula is C14H12N4O, and the molecular weight is 252.27 g/mol. InChIKey HNKGGVGQAVODNJ-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.