Synonym
A-953227; A 953227; A953227.
IUPAC/Chemical Name
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-(4-fluorophenyl)-1H-pyrazol-1-yl)-nicotinamide
InChi Key
CJFKGISBMQMNDQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34)
SMILES Code
O=C(NC(C(C(N)=O)=O)CC1=CC=CC=C1)C2=C(N3N=C(C4=CC=C(F)C=C4)C=C3)N=CC=C2
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
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
Dysregulation of calpains 1 and 2 has been implicated in a variety of pathological disorders including ischemia/reperfusion injuries, kidney diseases, cataract formation, and neurodegenerative diseases such as Alzheimer’s disease (AD).
Preparing Stock Solutions
The following data is based on the
product
molecular weight
457.47
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: Kling A, Jantos K, Mack H, Hornberger W, Drescher K, Nimmrich V, Relo A, Wicke
K, Hutchins CW, Lao Y, Marsh K, Moeller A. Discovery of Novel and Highly
Selective Inhibitors of Calpain for the Treatment of Alzheimer's Disease:
2-(3-Phenyl-1H-pyrazol-1-yl)-nicotinamides. J Med Chem. 2017 Aug
24;60(16):7123-7138. doi: 10.1021/acs.jmedchem.7b00731. Epub 2017 Aug 15. PubMed
PMID: 28759231.
2. Mitigating the Metabolic Liability of Carbonyl Reduction: Novel Calpain Inhibitors with P1′ Extension
Andreas Kling, Katja Jantos, Helmut Mack, Wilfried Hornberger, Gisela Backfisch, Yanbin Lao, Marjoleen Nijsen, Beatrice Rendenbach-Mueller, and Achim Moeller
Publication Date (Web): February 4, 2018 (Letter)
DOI: 10.1021/acsmedchemlett.7b00494
