TK05 - ≥98% , CAS No.1245734-61-5

CAS: 1245734-61-5 Cat. No.: T647286 分子式: C₃₁H₂₅ClN₂O₅ 分子量: 540.99 PubChem CID: 53385780

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

TK05 is a potent and selective inhibitor of leukotriene C 4 synthase (LTC4S) with an IC 50 of 95 nM

In Vitro

TK05 reduces LTC 4 production in a dose-dependent manner with an IC 50 value of 318 ± 60 nM in MM6 Cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

TK05 (0.12-6 mg/kg; given i.p.; only once) significantly reduces LTE 4 levels . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Zymosan A induced peritonitis mouse model Dosage: 0.12 mg/kg; 6 mg/kg Administration: Given i.p.; only once Result: 0.12 mg/kg of TK05 significantly reduced LTE 4 levels, whereas 6 mg/kg body weight of the compound resulted in almost complete inhibition compared with mice treated with only Zymosan A.

Form:Solid

IC50& Target:IC50: 95 nM (Leukotriene C 4 synthase)

Specifications

仕様と純度

≥98%

生化学的・生理学的メカニズム

TK05 is a potent and selective inhibitor of leukotriene C 4 synthase (LTC4S) with an IC 50 of 95 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。

純度

≥98%

名前と識別子

• カノニカル・スマイル: COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C(=O)C3=NC=C(C=C3)N(CC4CC4)C5=CC=C(C=C5)Cl)C(=O)O
• IUPAC Name: 5-[5-[4-chloro-N-(cyclopropylmethyl)anilino]pyridine-2-carbonyl]-2-(4-methoxybenzoyl)benzoic acid
• InChIKey: GRDDFJXOEAJYCT-UHFFFAOYSA-N
• INCHI: 1S/C31H25ClN2O5/c1-39-25-12-4-20(5-13-25)29(35)26-14-6-21(16-27(26)31(37)38)30(36)28-15-11-24(17-33-28)34(18-19-2-3-19)23-9-7-22(32)8-10-23/h4-17,19H,2-3,18H2,1H3,(H,37,38)
• 異性体SMILES: COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C(=O)C3=NC=C(C=C3)N(CC4CC4)C5=CC=C(C=C5)Cl)C(=O)O
• PubChem CID: 53385780
• 分子量: 540.99

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Aryl-phenylketones Diphenylmethanes Alkyldiarylamines Pyridinecarboxylic acids and derivatives Benzoic acids Phenoxy compounds Aniline and substituted anilines Anisoles Benzoyl derivatives Methoxybenzenes Aminopyridines and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Alkyldiarylamine - Benzoic acid or derivatives - Benzoic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Aryl ketone - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Aminopyridine - Halobenzene - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Ketone - Amino acid - Organoheterocyclic compound - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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）

LTC4S Tchem Leukotriene C4 synthase (2 Activities)

Discover Target: LTC4S

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

関連ターゲット（非人間）

Ltc4s Leukotriene C4 synthase (1 Activities)

Discover Target: Ltc4s

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: DMSO : ≥ 100 mg/mL (184.85 mM)

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 1245734-61-5, the molecular formula is C31H25ClN2O5, and the molecular weight is 540.99 g/mol. InChIKey GRDDFJXOEAJYCT-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.