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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock Avacopan (CCX168) - Moligand™, ≥98% , Antagonist of C5a 1 receptor, CAS No.1346623-17-3, Antagonist of C5a 1 receptor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
(2R,3S)-2-[4-(Cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-piperidinecarboxamide | AVACOPAN [WHO-DD] | CCX168 | CCX-168 | GTPL9450 | Tavneos | Avacopan [USAN] | avacopanum | (2R,3S)-2-[4-(cyclopentylamino)
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vue d’ensemble Information
Avacopan (CCX168) Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.
Targets
C5aR
Specifications Synonymes
(2R,3S)-2-[4-(Cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-piperidinecarboxamide | AVACOPAN [WHO-DD] | CCX168 | CCX-168 | GTPL9450 | Tavneos | Avacopan [USAN] | avacopanum | (2R,3S)-2-[4-(cyclopentylamino)
Spécifications et pureté
Moligand™, ≥98%
Mécanismes biochimiques et physiologiques
Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.
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.
Mécanisme d'action
Antagonist of C5a 1 receptor
Propriétés du produit Noms et identifiants Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770945
Sourires canoniques
CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F
IUPAC Name
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
InChIKey
PUKBOVABABRILL-YZNIXAGQSA-N
INCHI
1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1
Isomères SMILES
CC1=C(C(=CC=C1)F)C(=O)N2CCC[C@@H]([C@@H]2C3=CC=C(C=C3)NC4CCCC4)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F
CAS alternatif
1346623-17-3
Termes d'entrée MeSH
avacopan;CCX168
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25147732&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Classe Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent 1-benzoylpiperidines Alternative Parents N-benzoylpiperidines Phenylpiperidines 2-halobenzoic acids and derivatives Trifluoromethylbenzenes o-Toluamides Anilides Benzamides Piperidinecarboxamides Aniline and substituted anilines N-arylamides Phenylalkylamines Fluorobenzenes Secondary alkylarylamines Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Amino acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Phenylpiperidine - Trifluoromethylbenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - N-acyl-piperidine - O-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Anilide - 3-piperidinecarboxamide - Piperidinecarboxamide - Phenylalkylamine - Aniline or substituted anilines - N-arylamide - Toluene - Fluorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Piperidine - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. 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.
Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Solubilité Solubility (25°C) In vitro DMSO: 100 mg/mL (171.92 mM); Ethanol: 20 mg/mL (34.38 mM); Water: Insoluble; DMSO (mg/mL) Solubilité maximale 100 DMSO (mM) Solubilité maximale 171.927652843683 Eau (mg/mL) Solubilité maximale ＜1 Poids moléculaire 581.600 g/mol XLogP3 7.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 6 Exact Mass 581.267 Da Monoisotopic Mass 581.267 Da Topological Polar Surface Area 61.400 Ų Heavy Atom Count 42 Formal Charge 0 Complexity 917.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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
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