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 分子式: C₂₀H₁₃ClF₃N₅O₃S 分子量: 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

概要

Ilacirnon is a potent CCR2 antagonist

Specifications

同義語

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-

仕様と純度

Moligand™,≥95%

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

ANTAGONIST

作用メカニズム

C-C chemokine receptor type 2 antagonist

純度

≥95%

製品の性質

• ALogP: 4.6

名前と識別子

• カノニカル・スマイル: 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)
• 異性体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
• 代替CAS番号: 1100318-47-5
• MeSH用語: CCX140-B
• 分子量: 495.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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

よくある質問

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.