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

Item Number
A412409
Grouped product items
SKUSizeAvailabilityPrice Qty
A412409-5mg
5mg
In stock
$294.90
A412409-10mg
10mg
In stock
$480.90
A412409-25mg
25mg
In stock
$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

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 & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsAvacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionAntagonist of C5a 1 receptor
Product Description

Information

Avacopan (CCX168) Avacopan (CCX168) is an orally administered and selective C5a receptor (C5aR) antagonist.


Targets

C5aR

Product Properties

ALogP7.579
HBD Count2
Rotatable Bond7

Associated Targets(Human)

C5AR1 Tclin C5a anaphylatoxin chemotactic receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Names and Identifiers

Pubchem Sid504770945
Pubchem Sid Urlhttps://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
InChi Key PUKBOVABABRILL-YZNIXAGQSA-N
Canonical 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
PubChem CID 49841217
MeSH Entry Terms avacopan;CCX168
Molecular Weight 581.64

Certificates

C of A & Other Certificates

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
G2201371Certificate of AnalysisJun 04, 2022 A412409
G2201372Certificate of AnalysisJun 04, 2022 A412409
G2201391Certificate of AnalysisJun 04, 2022 A412409
G2201398Certificate of AnalysisJun 04, 2022 A412409

Chemical and Physical Properties

SolubilitySolubility (25°C) In vitro DMSO: 100 mg/mL (171.92 mM); Ethanol: 20 mg/mL (34.38 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility100
DMSO(mM) Max Solubility171.927652843683
Water(mg / mL) Max Solubility<1

Safety and Hazards(GHS)

Pictogram(s) GHS09,   GHS07
Signal Warning
Hazard Statements

H302:Harmful if swallowed

H400:Very toxic to aquatic life

H410:Very toxic to aquatic life with long lasting effects

Precautionary Statements

P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell.

Related Documents

References

1. Bekker P, Dairaghi D, Seitz L, Leleti M, Wang Y, Ertl L, Baumgart T, Shugarts S, Lohr L, Dang T et al..  (2016)  Characterization of Pharmacologic and Pharmacokinetic Properties of CCX168, a Potent and Selective Orally Administered Complement 5a Receptor Inhibitor, Based on Preclinical Evaluation and Randomized Phase 1 Clinical Study..  PLoS ONE,  11  (10): (e0164646).  [PMID:27768695] [10.1021/op500134e]
2. Jayne DRW, Bruchfeld AN, Harper L, Schaier M, Venning MC, Hamilton P, Burst V, Grundmann F, Jadoul M, Szombati I et al..  (2017)  Randomized Trial of C5a Receptor Inhibitor Avacopan in ANCA-Associated Vasculitis..  J Am Soc Nephrol,  28  (9): (2756-2767).  [PMID:28400446] [10.1021/op500134e]
3. Kettritz R.  (2017)  Vasculitis: A CLEAR argument for targeting complement in ANCA vasculitis..  Nat Rev Nephrol,  13  (8): (448-450).  [PMID:28529340] [10.1021/op500134e]
4. Merkel PA, Jayne DR, Wang C, Hillson J, Bekker P.  (2020)  Evaluation of the Safety and Efficacy of Avacopan, a C5a Receptor Inhibitor, in Patients With Antineutrophil Cytoplasmic Antibody-Associated Vasculitis Treated Concomitantly With Rituximab or Cyclophosphamide/Azathioprine: Protocol for a Randomized, Double-Blind, Active-Controlled, Phase 3 Trial..  JMIR Res Protoc,  (4): (e16664).  [PMID:32088663] [10.1021/op500134e]
5. Serling-Boyd N, Wallace ZS.  (2021)  Management of primary vasculitides with biologic and novel small molecule medications..  Curr Opin Rheumatol,  33  (1): (8-14).  [PMID:33164993] [10.1021/op500134e]
6. Onuora S.  (2021)  Avacopan offers alternative to steroids for ANCA-associated vasculitis..  Nat Rev Rheumatol,  17  (5): (249).  [PMID:33846585] [10.1021/op500134e]
7. Osman M, Cohen Tervaert JW, Pagnoux C.  (2021)  Avacopan for the treatment of ANCA-associated vasculitis..  Expert Rev Clin Immunol,  17  (7): (717-726).  [PMID:34006155] [10.1021/op500134e]

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