ChemicalBook--->CAS DataBase List--->1346623-17-3

1346623-17-3

1346623-17-3 Structure

1346623-17-3 Structure
IdentificationBack Directory
[Name]

Budiodarone tartrate
[CAS]

1346623-17-3
[Synonyms]

CCX 168
CS-2731
Avacopan (CCX168)
Budiodarone tartrate
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
3-Piperidinecarboxamide, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-, (2R,3S)-
[Molecular Formula]

C33H35F4N3O2
[MOL File]

1346623-17-3.mol
[Molecular Weight]

581.64
Chemical PropertiesBack Directory
[Boiling point ]

730.7±60.0 °C(Predicted)
[density ]

1.287±0.06 g/cm3(Predicted)
[solubility ]

DMF: 12 mg/ml; DMSO: 5 mg/ml; Ethanol: 3 mg/ml
[form ]

A solid
[pka]

14.02±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

PUKBOVABABRILL-YZNIXAGQSA-N
[SMILES]

C(C1C(=CC=CC=1C)F)(N1CCC[C@@H]([C@@H]1C1C=CC(=CC=1)NC1CCCC1)C(=O)NC1C=CC(=C(C=1)C(F)(F)F)C)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H410
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P273-P391-P501
Hazard InformationBack Directory
[Uses]

Avacopan (CCX168) is a potent, selective and orally available complement 5a receptor (C5aR) inhibitor with an IC50 of 0.1 nM.
[in vivo]

CCX168 is shown to be well tolerated across a broad dose range (1 to 100 mg) and it showed dose-dependent pharmacokinetics. An oral dose of 30 mg CCX168 given twice daily blocked the C5a-induced upregulation of CD11b in circulating neutrophils by 94% or greater throughout the entire day, demonstrating essentially complete target coverage. In mice dosed orally with 0.03 mg/kg of CCX168, the resulting plasma CCX168 concentration of 15 nM (8.7 ng/mL) reduces the drop in circulating leukocytes from 53% to 25%. In mice administered 0.3 mg/kg of CCX168, the resulting plasma CCX168 concentration of 75 nM (44 ng/mL) reduces the drop in circulating leukocytes from 53% to only 10% relative to baseline (p<0.05 for CCX168 vs. vehicle control). Oral doses of CCX168 of either 3 or 30 mg/kg completely blocks C5a-induced leukopenia in hC5aR knock-in mice[1]. Oral CCX168, 30 mg/kg daily, reduces the severity of anti-MPO NCGN in hC5aR mice. Glomerular crescents are reduced from 30.4% to 3.3% with CCX168. Urine hematuria, proteinuria, and leukocyturia are reduced in mice receiving CCX168, 30 mg/kg per day. The protection by CCX168 results in reduced crescents and necrosis[2].

[References]

[1] Bekker P, et al. 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. 2016 Oct 21;11(10):e0164646. DOI:10.1371/journal.pone.0164646
[2] Xiao H, et al. C5a receptor (CD88) blockade protects against MPO-ANCA GN. J Am Soc Nephrol. 2014 Feb;25(2):225-31. DOI:10.1681/ASN.2013020143
Spectrum DetailBack Directory
[Spectrum Detail]

Budiodarone tartrate(1346623-17-3)1HNMR
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