MedKoo Cat#: 534842 | Name: Mutaprodenafil

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Mutaprodenafil is a sildenafil analog with imidazole moiety isolated from a dietary supplement.

Chemical Structure

Mutaprodenafil
Mutaprodenafil
CAS#1387577-30-1

Theoretical Analysis

MedKoo Cat#: 534842

Name: Mutaprodenafil

CAS#: 1387577-30-1

Chemical Formula: C27H35N9O5S2

Exact Mass: 629.2203

Molecular Weight: 629.76

Elemental Analysis: C, 51.50; H, 5.60; N, 20.02; O, 12.70; S, 10.18

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Mutaprodenafil
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
Appearance
Solid powder
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
More Info

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.

Recalculate based on batch purity %
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.