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Avacopan (CCX168) - 98%, high purity , CAS No.1346623-17-3, Antagonist of C5a 1 receptor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1346623-17-3
Molecular Weight: 581.64
EC Number: 877-511-8
PubChem CID: 49841217
PubChem SID: 504770945

In stock

Item Number

A412409

Grouped product items
SKU	Size	Availability	Price
A412409-5mg	5mg	3	$294.90
A412409-10mg	10mg	2	$480.90
A412409-25mg	25mg	2	$927.90
A412409-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,476.90

Immunology & Inflammation related Antagonists

View related series

C5a1 receptor Antagonist (17)

Basic Description

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)
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of C5a 1 receptor
Product Description	Information Avacopan (CCX168) Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist. Targets C5aR

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Product Properties

ALogP	7.579
hba_count	2
HBD Count	2
Rotatable Bond	7

Associated Targets(Human)

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor 1 (1 Activities)

Discover Target: C5AR1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504770945
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770945
IUPAC Name	(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
INCHI	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
InChIKey	PUKBOVABABRILL-YZNIXAGQSA-N
Smiles	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
Isomeric 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
Alternate CAS	1346623-17-3
MeSH Entry Terms	avacopan;CCX168
Molecular Weight	581.64
Reaxy-Rn	25147732
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25147732&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2201391	Certificate of Analysis	Apr 03, 2025	A412409
G2201371	Certificate of Analysis	Apr 03, 2025	A412409
G2201372	Certificate of Analysis	Apr 03, 2025	A412409
G2201398	Certificate of Analysis	Apr 03, 2025	A412409

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (171.92 mM); Ethanol: 20 mg/mL (34.38 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	171.927652843683
Water(mg / mL) Max Solubility	＜1
Molecular Weight	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 Å²
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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