Synonym
CP 81282; CP81282; CP-81282; CP-81,282.
IUPAC/Chemical Name
L-Norleucinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-3,3-difluoro-4-(methylamino)-2,4-dioxobutyl)-, (S)-
InChi Key
UASBNVCJGQKXON-GSDHBNRESA-N
InChi Code
InChI=1S/C32H47F2N5O6/c1-3-4-15-24(36-25(20-22-11-7-5-8-12-22)27(40)32(33,34)30(43)35-2)28(41)38-29(42)26(21-23-13-9-6-10-14-23)37-31(44)39-16-18-45-19-17-39/h6,9-10,13-14,22,24-26,36H,3-5,7-8,11-12,15-21H2,1-2H3,(H,35,43)(H,37,44)(H,38,41,42)/t24-,25-,26-/m0/s1
SMILES Code
CCCC[C@@H](C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)N2CCOCC2)N[C@@H](CC3CCCCC3)C(=O)C(C(=O)NC)(F)F
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
635.74
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: Aguilar CF, Cronin NB, Badasso M, Dreyer T, Newman MP, Cooper JB, Hoover DJ, Wood SP, Johnson MS, Blundell TL. The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae. J Mol Biol. 1997 Apr 11;267(4):899-915. PubMed PMID: 9135120.
2: Badasso M, Wood SP, Aguilar C, Cooper JB, Blundell TL, Dreyer T. Crystallization and preliminary crystallographic characterization of aspartic proteinase-A from baker's yeast and its complexes with inhibitors. J Mol Biol. 1993 Jul 20;232(2):701-3. PubMed PMID: 8345528.
3: Veerapandian B, Cooper JB, Sali A, Blundell TL, Rosati RL, Dominy BW, Damon DB, Hoover DJ. Direct observation by X-ray analysis of the tetrahedral "intermediate" of aspartic proteinases. Protein Sci. 1992 Mar;1(3):322-8. PubMed PMID: 1304340; PubMed Central PMCID: PMC2142209.
4: Hoover DJ, Veerapandian B, Cooper JB, Damon DB, Dominy BW, Rosati RL, Blundell TL. X-ray analysis of a difluorostatone renin inhibitor bound as the tetrahedral hydrate to the aspartic protease endothiapepsin. Adv Exp Med Biol. 1991;306:269-73. PubMed PMID: 1812716.
