TK05 - ≥98% , CAS No.1245734-61-5

CAS: 1245734-61-5 Cat. No.: T647286 Formule: C₃₁H₂₅ClN₂O₅ Poids moléculaire: 540.99 PubChem CID: 53385780

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: 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)
• Isomères 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
• Poids moléculaire: 540.99

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Cibles associées (humaines)

LTC4S Tchem Leukotriene C4 synthase (2 Activities)

Discover Target: LTC4S

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

Cibles associées (non humaines)

Ltc4s Leukotriene C4 synthase (1 Activities)

Discover Target: Ltc4s

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 100 mg/mL (184.85 mM)

Foire aux questions

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.