Synonym
L 685434; L-685434; L685434; L-685,434; L 685,434; L685,434;
IUPAC/Chemical Name
tert-butyl ((2R,3S,5R)-5-benzyl-3-hydroxy-6-((2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-6-oxo-1-phenylhexan-2-yl)carbamate
InChi Key
ZJBUCZFZQXPYFC-LHOBQIQJSA-N
InChi Code
InChI=1S/C33H40N2O5/c1-33(2,3)40-32(39)34-27(19-23-14-8-5-9-15-23)28(36)21-25(18-22-12-6-4-7-13-22)31(38)35-30-26-17-11-10-16-24(26)20-29(30)37/h4-17,25,27-30,36-37H,18-21H2,1-3H3,(H,34,39)(H,35,38)/t25-,27-,28+,29?,30?/m1/s1
SMILES Code
O=C(OC(C)(C)C)N[C@H](CC1=CC=CC=C1)[C@@H](O)C[C@@H](CC2=CC=CC=C2)C(NC3C(O)CC4=C3C=CC=C4)=O
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
544.69
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: Smith AB 3rd, Hirschmann R, Pasternak A, Yao W, Sprengeler PA, Holloway MK, Kuo LC, Chen Z, Darke PL, Schleif WA. An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex. J Med Chem. 1997 Aug 1;40(16):2440-4. PubMed PMID: 9258349.
2: Young SD, Payne LS, Thompson WJ, Gaffin N, Lyle TA, Britcher SF, Graham SL, Schultz TH, Deana AA, Darke PL, et al. HIV-1 protease inhibitors based on hydroxyethylene dipeptide isosteres: an investigation into the role of the P1' side chain on structure-activity. J Med Chem. 1992 May 15;35(10):1702-9. PubMed PMID: 1588552.
