AZD-5672
- Product Name
- AZD-5672
- CAS No.
- 780750-65-4
- Chemical Name
- AZD-5672
- Synonyms
- AZD-5672;UNII-61XQN688TW;AZD-5672, 10 mM in DMSO;N-{1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methanesulfonylphenyl)propyl]piperidin-4-yl}-N-ethyl-2-(4-methanesulfonylphenyl)acetamide;Benzeneacetamide, N-[1-[(3R)-3-(3,5-difluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl]-4-piperidinyl]-N-ethyl-4-(methylsulfonyl)-
- CBNumber
- CB94919929
- Molecular Formula
- C32H38F2N2O5S2
- Formula Weight
- 632.78
- MOL File
- 780750-65-4.mol
AZD-5672 Property
- Boiling point:
- 800.4±65.0 °C(Predicted)
- Density
- 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- form
- Solid
- pka
- 8.54±0.20(Predicted)
- color
- White to light brown
AZD-5672 Chemical Properties,Usage,Production
Uses
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].
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.
IC 50
CCR5: 0.32 nM (IC50); hERG: 7.3 μM (IC50); hP-gp: 32 μM (IC50)
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. DOI:10.1016/j.bmcl.2011.12.117
[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. DOI:10.1124/dmd.110.035881
[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. DOI:10.1002/art.27652
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