AZD-5672

Modify Date: 2024-01-12 16:37:53

AZD-5672 Structure
AZD-5672 structure
Common Name AZD-5672
CAS Number 780750-65-4 Molecular Weight 632.78100
Density N/A Boiling Point N/A
Molecular Formula C32H38F2N2O5S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Use of AZD-5672


AZD-5672 is an orally active, potent, and selective CCR5 antagonist (IC50=0.32 nM). AZD-5672 shows moderate activity against the hERG ion channel (binding IC50=7.3 μM). AZD5672 is a substrate of human P-gp, and inhibits P-gp-mediated digoxin transport (IC50=32 μM). AZD-5672 can be used for the research of rheumatoid arthritis[1][2][3].

 Names

Name N-[1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Synonym More Synonyms

 AZD-5672 Biological Activity

Description AZD-5672 is an orally active, potent, and selective CCR5 antagonist (IC50=0.32 nM). AZD-5672 shows moderate activity against the hERG ion channel (binding IC50=7.3 μM). AZD5672 is a substrate of human P-gp, and inhibits P-gp-mediated digoxin transport (IC50=32 μM). AZD-5672 can be used for the research of rheumatoid arthritis[1][2][3].
Related Catalog
Target

CCR5:0.32 nM (IC50)

hERG:7.3 μM (IC50)

hP-gp:32 μM (IC50)

In Vitro AZD-5672 (0, 0.1, 0.3, 1, 3, 10, 30, and 100 μM) inhibits P-gp-mediated digoxin transport in a concentration-dependent manner (mean apparent IC50: 32 μM) in Caco-2 cells[2].
In Vivo In vivo pharmaeokineties data for AZD-5672 (compound 1)[1] Species CIa (mL/min/kg) Vssa (L/kg) t1/2a (h) Fb (%) Rat 28 5.3 2.6 38 Dog 18 5.7 3.9 86 a AZD-5672 dosed 1-2 mg/kg i.v. b AZD-5672 dosed 2-5 mg/kg p.o.
References

[1]. Cumming JG, et al. Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis. Bioorg Med Chem Lett. 2012 Feb 15;22(4):1655-9.

[2]. Elsby R, et al. The utility of in vitro data in making accurate predictions of human P-glycoprotein-mediated drug-drug interactions: a case study for AZD5672. Drug Metab Dispos. 2011 Feb;39(2):275-82.

[3]. Gerlag DM, et al. Preclinical and clinical investigation of a CCR5 antagonist, AZD5672, in patients with rheumatoid arthritis receiving methotrexate. Arthritis Rheum. 2010 Nov;62(11):3154-60.

 Chemical & Physical Properties

Molecular Formula C32H38F2N2O5S2
Molecular Weight 632.78100
Exact Mass 632.21900
PSA 108.59000
LogP 6.94890

 Synonyms

unii-61xqn688tw