IUPAC/Chemical Name
1H-Pyrazolo(4,3-d)pyrimidine, 5-(5-(((3R,5S)-3,5-dimethyl-1-piperazinyl)sulfonyl)-2-ethoxyphenyl)-1-methyl-7-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-3-propyl-, rel-
InChi Key
BKSGUKFLKLIEQV-CALCHBBNSA-N
InChi Code
InChI=1S/C27H35N9O5S2/c1-7-9-20-22-23(34(6)32-20)26(42-27-25(36(37)38)28-15-33(27)5)31-24(30-22)19-12-18(10-11-21(19)41-8-2)43(39,40)35-13-16(3)29-17(4)14-35/h10-12,15-17,29H,7-9,13-14H2,1-6H3/t16-,17+
SMILES Code
CCCC1=NN(C)C2=C(SC3=C([N+]([O-])=O)N=CN3C)N=C(C4=CC(S(=O)(N5C[C@@H](C)N[C@@H](C)C5)=O)=CC=C4OCC)N=C21
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
>3 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
629.76
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: Demizu Y, Wakana D, Kamakura H, Kurihara M, Okuda H, Goda Y. Identification of mutaprodenafil in a dietary supplement and its subsequent synthesis. Chem Pharm Bull (Tokyo). 2011;59(10):1314-6. doi: 10.1248/cpb.59.1314. PMID: 21963647.
2: Martino R, Menendez C, Balayssac S, Martins-Froment N, Lherbet C, Couderc F, Gilard V, Malet-Martino M. A revisited structure for nitrosoprodenafil from NMR, mass spectrometry, X-ray and hydrolysis data. J Pharm Biomed Anal. 2017 Feb 20;135:31-49. doi: 10.1016/j.jpba.2016.12.011. Epub 2016 Dec 9. PMID: 27988395.
3: Goda Y. [Analysis and identification of illegal constituents in health food products implicitly advertizing tonic or slimming effect in the National Institute of Health Sciences in Japan]. Yakugaku Zasshi. 2014;134(2):197-202. Japanese. doi: 10.1248/yakushi.13-00230-1. PMID: 24492223.
4: Sakamoto M, Moriyasu T, Minowa K, Kishimoto K, Kadoi H, Hamano T, Fukaya H. Structure elucidation of a novel analog of sildenafil detected as an adulterant in a dietary supplement using LC-UV and LC/MS. J AOAC Int. 2012 Jul- Aug;95(4):1048-52. doi: 10.5740/jaoacint.11-235. PMID: 22970570.
5: Khalifat N, Rahimi M, Bitbol AF, Seigneuret M, Fournier JB, Puff N, Arroyo M, Angelova MI. Interplay of packing and flip-flop in local bilayer deformation. How phosphatidylglycerol could rescue mitochondrial function in a cardiolipin- deficient yeast mutant. Biophys J. 2014 Aug 19;107(4):879-90. doi: 10.1016/j.bpj.2014.07.015. PMID: 25140423; PMCID: PMC4142233.
