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MedKoo Cat#: 145790 | Name: Oxynitidine

Description:

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

Oxynitidine is a naturally occurring compound, often classified as an alkaloid. It has been isolated from certain plant species and is studied for its potential biological activity. Oxynitidine has attracted interest for its possible medicinal properties, including its effects on the nervous system and its antioxidant activity.

Chemical Structure

Oxynitidine
Oxynitidine
CAS#548-31-2

Theoretical Analysis

MedKoo Cat#: 145790

Name: Oxynitidine

CAS#: 548-31-2

Chemical Formula: C21H17NO5

Exact Mass: 363.1100

Molecular Weight: 363.37

Elemental Analysis: C, 69.41; H, 4.72; N, 3.85; O, 22.01

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 #
No Data
Synonym
Oxynitidine;
IUPAC/Chemical Name
2,3-dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-13(12H)-one
InChi Key
TVYBYUSEIMYSFA-UHFFFAOYSA-N
InChi Code
1S/C21H17NO5/c1-22-20-12(5-4-11-6-18-19(7-13(11)20)27-10-26-18)14-8-16(24-2)17(25-3)9-15(14)21(22)23/h4-9H,10H2,1-3H3
SMILES Code
COC1=C(OC)C=C2C(=C1)C(=O)N(C)C3=C4C=C5OCOC5=CC4=CC=C23
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 363.37 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: Zhang XR, Wang HW, Tang WL, Zhang Y, Yang H, Hu DX, Ravji A, Marchand C, Kiselev E, Ofori-Atta K, Agama K, Pommier Y, An LK. Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents. J Med Chem. 2018 Nov 21;61(22):9908-9930. doi: 10.1021/acs.jmedchem.8b00639. Epub 2018 Oct 31. PMID: 30336023; PMCID: PMC8085681. 2: García IA, Pansa MF, Pacciaroni ADV, García ME, Gonzalez ML, Oberti JC, Bocco JL, Carpinella MC, Barboza GE, Nicotra VE, Soria G. Synthetic Lethal Activity of Benzophenanthridine Alkaloids From Zanthoxylum coco Against BRCA1-Deficient Cancer Cells. Front Pharmacol. 2020 Dec 3;11:593845. doi: 10.3389/fphar.2020.593845. PMID: 33424604; PMCID: PMC7793782. 3: Zhou X, Peng Y, Zhou H, Wang W, Yi G, Xia Q, Guo Y, Xie L. Profiling 32 alkaloid compounds from Macleaya cordata by UPLC-DAD-QTOF-MS/ms. Nat Prod Res. 2024 Sep 25:1-8. doi: 10.1080/14786419.2024.2408409. Epub ahead of print. PMID: 39319415. 4: Korivi RP, Cheng CH. Protecting-group-free total synthesis of isoquinoline alkaloids by nickel-catalyzed annulation of o-halobenzaldimine with an alkyne as the key step. Chemistry. 2010 Jan 4;16(1):282-7. doi: 10.1002/chem.200902275. PMID: 19904781. 5: Rao SW, Duan YY, Pang HQ, Xu SH, Hu SQ, Cheng KG, Liang D, Shi W. Spectrum- Effect Relationship Analysis of Bioactive Compounds in Zanthoxylum nitidum (Roxb.) DC. by Ultra-High Performance Liquid Chromatography Mass Spectrometry Coupled With Comprehensive Filtering Approaches. Front Pharmacol. 2022 Mar 9;13:794277. doi: 10.3389/fphar.2022.794277. PMID: 35355711; PMCID: PMC8959880. 6: Calder ED, McGonagle FI, Harkiss AH, McGonagle GA, Sutherland A. Preparation of amino-substituted indenes and 1,4-dihydronaphthalenes using a one-pot multireaction approach: total synthesis of oxybenzo[c]phenanthridine alkaloids. J Org Chem. 2014 Aug 15;79(16):7633-48. doi: 10.1021/jo5014492. Epub 2014 Aug 1. PMID: 25060853. 7: Le TN, Gang SG, Cho WJ. A versatile total synthesis of benzo[c]phenanthridine and protoberberine alkaloids using lithiated toluamide-benzonitrile cycloaddition. J Org Chem. 2004 Apr 16;69(8):2768-72. doi: 10.1021/jo035836+. PMID: 15074926. 8: Wall ME, Wani MC, Taylor H. Plant antitumor agents, 27. Isolation, structure, and structure activity relationships of alkaloids from Fagara macrophylla. J Nat Prod. 1987 Nov-Dec;50(6):1095-9. doi: 10.1021/np50054a014. PMID: 3443858. 9: Yang CH, Cheng MJ, Lee SJ, Yang CW, Chang HS, Chen IS. Secondary metabolites and cytotoxic activities from the stem bark of Zanthoxylum nitidum. Chem Biodivers. 2009 Jun;6(6):846-57. doi: 10.1002/cbdv.200800107. PMID: 19551734. 10: Shi Y, Zhang L, Lan J, Zhang M, Zhou F, Wei W, You J. Oxidative C-H/C-H Cross-Coupling Reactions between N-Acylanilines and Benzamides Enabled by a Cp*-Free RhCl3 /TFA Catalytic System. Angew Chem Int Ed Engl. 2018 Jul 16;57(29):9108-9112. doi: 10.1002/anie.201804528. Epub 2018 Jun 19. PMID: 29862624. 11: Vardamides JC, Dongmo AB, Meyer M, Ndom JC, Azebaze AG, Zounda MR, Sielinou VT, Ndemangou B, Nkengfack AE, Ngando TM, Fomum ZT. Alkaloids from the stem bark of Turraeanthus africanus (Meliaceae). Chem Pharm Bull (Tokyo). 2006 Jul;54(7):1034-6. doi: 10.1248/cpb.54.1034. PMID: 16819226. 12: Jullian V, Bourdy G, Georges S, Maurel S, Sauvain M. Validation of use of a traditional antimalarial remedy from French Guiana, Zanthoxylum rhoifolium Lam. J Ethnopharmacol. 2006 Jul 19;106(3):348-52. doi: 10.1016/j.jep.2006.01.011. Epub 2006 Feb 28. PMID: 16504432. 13: Chou HC, Chen JJ, Duh CY, Huang TF, Chen IS. Cytotoxic and anti-platelet aggregation constituents from the root wood of Melicope semecarpifolia. Planta Med. 2005 Nov;71(11):1078-81. doi: 10.1055/s-2005-871295. PMID: 16320216. 14: Chen YZ, Tang GY, Xu BJ, Wu QJ, Lu CZ, Li JQ, Huang ZX. The formation and crystal structure of dihydronitidine and discussion of anticancer mechanism of nitidine cation. Sci China B. 1992 Sep;35(9):1101-9. PMID: 1476618. 15: Le TN, Cho WJ. Total synthesis of oxyfagaronine, phenolic benzo[c]phenanthridine and general synthetic way of 2,3,7,8- and 2,3,8,9-tetrasubstituted benzo[c]phenanthridine alkaloids. Chem Pharm Bull (Tokyo). 2006 Apr;54(4):476-80. doi: 10.1248/cpb.54.476. PMID: 16595948.

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CYH33

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