Synonym
Kni 102; Kni-102; Kn102.
IUPAC/Chemical Name
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
InChi Key
XCVUOCMQYKSJJR-IGRGDXOOSA-N
InChi Code
InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
SMILES Code
C1CC[C@H](N1C([C@H]([C@@H](NC(=O)[C@@H](NC(OCc1ccccc1)=O)CC(N)=O)Cc1ccccc1)O)=O)C(NC(C)(C)C)=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
595.70
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: Asagarasu A, Takayanagi N, Achiwa K. Synthesis of dipeptide-type human immunodeficiency virus (HIV) protease inhibitors with a binding unit to gp120. Chem Pharm Bull (Tokyo). 1998 May;46(5):867-70. PubMed PMID: 9621421.
2: Asagarasu A, Uchiyama T, Achiwa K. Syntheses of HIV-protease inhibitors having a peptide moiety which binds to GP120. Chem Pharm Bull (Tokyo). 1998 Apr;46(4):697-703. PubMed PMID: 9579045.
3: Marastoni M, Fantin G, Bortolotti F, Tomatis R. Synthesis and activity of pseudotripeptide inhibitors of HIV-1 protease containing D(-)-O-(benzyl)tartaric acid. Arzneimittelforschung. 1996 Nov;46(11):1099-101. PubMed PMID: 8955873.
4: el-Farrash MA, Kuroda MJ, Kitazaki T, Masuda T, Kato K, Hatanaka M, Harada S. Generation and characterization of a human immunodeficiency virus type 1 (HIV-1) mutant resistant to an HIV-1 protease inhibitor. J Virol. 1994 Jan;68(1):233-9. PubMed PMID: 8254733; PubMed Central PMCID: PMC236282.
5: Kato R, Takahashi O, Kiso Y, Moriguchi I, Hirono S. Solution structure of HIV-1 protease-allophenylnorstatine derivative inhibitor complex obtained from molecular dynamics simulation. Chem Pharm Bull (Tokyo). 1994 Jan;42(1):176-8. PubMed PMID: 8124761.
6: Fujisawa Y, Kakinuma A. [HIV protease inhibitors]. Tanpakushitsu Kakusan Koso. 1993 Aug;38(11):2012-30. Review. Japanese. PubMed PMID: 8210441.
7: Mimoto T, Imai J, Tanaka S, Hattori N, Kisanuki S, Akaji K, Kiso Y. KNI-102, a novel tripeptide HIV protease inhibitor containing allophenylnorstatine as a transition-state mimic. Chem Pharm Bull (Tokyo). 1991 Nov;39(11):3088-90. PubMed PMID: 1799953.
