Synonym
AZD5248; AZD 5248; AZD-5248;
IUPAC/Chemical Name
(S)-4-amino-N-(1-cyano-2-(4'-cyano-[1,1'-biphenyl]-4-yl)ethyl)tetrahydro-2H-pyran-4-carboxamide
InChi Key
NNUFRZJZOXVZIT-FQEVSTJZSA-N
InChi Code
InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
SMILES Code
NC1(C(N[C@H](C#N)CC2=CC=C(C3=CC=C(C#N)C=C3)C=C2)=O)CCOCC1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
374.44
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.
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 |
1: Banerjee A, Velagaleti R, Patil S, Pawar M, Yadav P, Kadam P, Qadri MM, Chakraborti S, Saini JS, Behera DB, Karanjai K, Iyer PS, Gharat LA, Das S. Development of potent and selective Cathepsin C inhibitors free of aortic binding liability by application of a conformational restriction strategy. Bioorg Med Chem Lett. 2021 Sep 1;47:128202. doi: 10.1016/j.bmcl.2021.128202. Epub 2021 Jun 15. PMID: 34139325.
2: Kingston L, Gu C, Guo J, Swallow S, Elmore CS. The impact of radiochemistry in drug projects: The use of C-14 label in the AZD8529, AZD7325, and AZD6280 projects. J Labelled Comp Radiopharm. 2021 Feb;64(2):65-72. doi: 10.1002/jlcr.3902. Epub 2021 Jan 7. PMID: 33326121.
3: Allen P, Bragg RA, Caffrey M, Ericsson C, Hickey MJ, Kingston LP, Elmore CS. The synthesis of a tritium, carbon-14, and stable isotope-labeled cathepsin C inhibitors. J Labelled Comp Radiopharm. 2017 Feb;60(2):124-129. doi: 10.1002/jlcr.3483. Epub 2016 Dec 21. PMID: 27868229.
4: Bragg RA, Brocklehurst S, Gustafsson F, Goodman J, Hickling K, MacFaul PA, Swallow S, Tugwood J. Aortic Binding of AZD5248: Mechanistic Insight and Reactivity Assays To Support Lead Optimzation. Chem Res Toxicol. 2015 Oct 19;28(10):1991-9. doi: 10.1021/acs.chemrestox.5b00236. Epub 2015 Sep 16. PMID: 26351880.