Ilacirnon - Moligand™,≥95% , C-C chemokine receptor type 2 antagonist, CAS No.1100318-47-5, C-C chemokine receptor type 2 antagonist

CAS: 1100318-47-5 Cat. No.: I611017 Formule: C₂₀H₁₃ClF₃N₅O₃S Poids moléculaire: 495.86

GRADE & PURITY Moligand™, ≥95%

Synonyms

BDBM50398343 | Otosone-F | Ovo-vinces | AKOS032455833 | CCX140B | CCX-140B | CCX140-B | AC-31374 | BENZENESULFONAMIDE, 4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)- | HY-101713 | 4-Chloro-N-(5-methyl-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Ilacirnon is a potent CCR2 antagonist

Specifications

Synonymes

BDBM50398343 | Otosone-F | Ovo-vinces | AKOS032455833 | CCX140B | CCX-140B | CCX140-B | AC-31374 | BENZENESULFONAMIDE, 4-CHLORO-N-(5-METHYL-2-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLCARBONYL)-3-PYRIDINYL)-3-(TRIFLUOROMETHYL)- | HY-101713 | 4-Chloro-N-(5-methyl-2-

Spécifications et pureté

Moligand™,≥95%

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.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

C-C chemokine receptor type 2 antagonist

Pureté

≥95%

Propriétés du produit

• ALogP: 4.6

Noms et identifiants

• Sourires canoniques: CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
• IUPAC Name: 4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• InChIKey: LUUMLYXKTPBTQR-UHFFFAOYSA-N
• INCHI: 1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)
• Isomères SMILES: CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
• CAS alternatif: 1100318-47-5
• Termes d'entrée MeSH: CCX140-B
• Poids moléculaire: 495.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Trifluoromethylbenzenes Benzenesulfonyl compounds Pyridinecarboxylic acids and derivatives Pyrimidinecarboxylic acids and derivatives Pyrrolo[2,3-d]pyrimidines Aryl ketones Methylpyridines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Pyrroles Vinylogous amides Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Benzenesulfonamide - Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Pyrrolopyrimidine - Aryl ketone - Methylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Pyrrole - Aminosulfonyl compound - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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)

CCR2 Tchem C-C chemokine receptor type 2 (1 Activities)

Discover Target: CCR2

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

CCR2 Tchem C-C chemokine receptor type 2 (5628 Activities)

Discover Target: CCR2

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 495.900 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 495.038 Da
• Monoisotopic Mass: 495.038 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 827.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 1100318-47-5, the molecular formula is C20H13ClF3N5O3S, and the molecular weight is 495.86 g/mol. InChIKey LUUMLYXKTPBTQR-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.