AZD-5672

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 524348

CAS#: 780750-65-4 (free base)

Description: AZD5672 is an orally active CCR5 antagonist for the treatment of rheumatoid arthritis.

Chemical Structure

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AZD-5672
CAS# 780750-65-4 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 524348
Name: AZD-5672
CAS#: 780750-65-4 (free base)
Chemical Formula: C32H38F2N2O5S2
Exact Mass: 632.22
Molecular Weight: 632.780
Elemental Analysis: C, 60.74; H, 6.05; F, 6.00; N, 4.43; O, 12.64; S, 10.13

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 527744-53-2 (HCl)   780750-65-4 (free base),  

Synonym: AZD-5672; AZD 5672; AZD5672; UNII-61XQN688TW;

IUPAC/Chemical Name: (R)-N-(1-(3-(3,5-difluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide

InChi Key: SCXSQUUTGCWHFU-WJOKGBTCSA-N

InChi Code: InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1

SMILES Code: O=S(C1=CC=C([C@H](C2=CC(F)=CC(F)=C2)CCN3CCC(CC3)N(C(CC4=CC=C(C=C4)S(C)(=O)=O)=O)CC)C=C1)(C)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 632.78 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Cumming JG, Tucker H, Oldfield J, Fielding C, Highton A, Faull A, Wild M, Brown D, Wells S, Shaw J. 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. Epub 2012 Jan 2. PubMed PMID: 22266038.

2: Elsby R, Gillen M, Butters C, Imisson G, Sharma P, Smith V, Surry DD. 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. Epub 2010 Nov 12. PubMed PMID: 21075975.

3: Gerlag DM, Hollis S, Layton M, Vencovský J, Szekanecz Z, Braddock M, Tak PP; ESCAPE Study Group. 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. PubMed PMID: 20662070.