Synonym
HIV-1 Inhibitor 18A; HIV-1 Inhibitor-18A;
IUPAC/Chemical Name
1-(2,1,3-Benzothiadiazol-4-yl)-3-[(E)-(4-hydroxyphenyl)methyleneamino]urea
InChi Key
QRTYYEYYXURINZ-OVCLIPMQSA-N
InChi Code
InChI=1S/C14H11N5O2S/c20-10-6-4-9(5-7-10)8-15-17-14(21)16-11-2-1-3-12-13(11)19-22-18-12/h1-8,20H,(H2,16,17,21)/b15-8+
SMILES Code
O=C(N/N=C/C1=CC=C(O)C=C1)NC2=CC=CC3=NSN=C32
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
313.33
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: Berinyuy E, Soliman MES. Identification of Novel Potential gp120 of HIV-1 Antagonist Using Per-Residue Energy Contribution-Based Pharmacophore modelling. Interdiscip Sci. 2017 Sep;9(3):406-418. doi: 10.1007/s12539-016-0174-7. Epub 2016 May 10. PubMed PMID: 27165479.
2: Berinyuy E, Soliman ME. A broad spectrum anti-HIV inhibitor significantly disturbs V1/V2 domain rearrangements of HIV-1 gp120 and inhibits virus entry. J Recept Signal Transduct Res. 2016;36(2):119-29. doi: 10.3109/10799893.2015.1056307. Epub 2015 Oct 8. PubMed PMID: 26446906.
3: Herschhorn A, Gu C, Espy N, Richard J, Finzi A, Sodroski JG. A broad HIV-1 inhibitor blocks envelope glycoprotein transitions critical for entry. Nat Chem Biol. 2014 Oct;10(10):845-52. doi: 10.1038/nchembio.1623. Epub 2014 Aug 31. PubMed PMID: 25174000; PubMed Central PMCID: PMC4231716.
4: Martin SF, Dorsey GO, Gane T, Hillier MC, Kessler H, Baur M, Mathä B, Erickson JW, Bhat TN, Munshi S, Gulnik SV, Topol IA. Cyclopropane-derived peptidomimetics. Design, synthesis, evaluation, and structure of novel HIV-1 protease inhibitors. J Med Chem. 1998 May 7;41(10):1581-97. PubMed PMID: 9572884.
