MedKoo Cat#: 125218 | Name: NR-NO2

Description:

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

NR-NO2 is a sensitive hypoxia-activated prodrug. NR-NO2 comprises an antibiotic combined with a chemotherapeutic. This prodrug demonstrates rapid and robust fluorescence enhancement and exhibits potent antibacterial activity against both Gram-positive and Gram-negative bacteria as well as tumor cells. Upon activation, NR-NO2 produces a distinct “fluorescence-on” signal, enabling real-time drug release monitoring. By leveraging elevated nitroreductase in cancer cells, NR-NO2 gives rise to heightened bacterial cytotoxicity while sparing normal cells. In A549 solid tumor-bearing mice, NR-NO2 selectively accumulated at tumor sites, displaying fluorescence signals under hypoxia superior to those of a corresponding prodrug-like control.

Chemical Structure

NR-NO2
NR-NO2
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 125218

Name: NR-NO2

CAS#: N/A

Chemical Formula: C57H52FN5O12

Exact Mass: 1017.3600

Molecular Weight: 1018.06

Elemental Analysis: C, 67.25; H, 5.15; F, 1.87; N, 6.88; O, 18.86

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
NR-NO2; NR NO2; NRNO2
IUPAC/Chemical Name
3-(((((3'-(diethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-6'-yl)oxy)carbonyl)oxy)methyl)-5-methyl-2-((4-nitrobenzyl)oxy)benzyl 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylate
InChi Key
QZPJRFFBKTUXIZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C57H52FN5O12/c1-5-60(6-2)39-16-18-45-50(26-39)74-51-27-40(17-19-46(51)57(45)44-11-9-8-10-41(44)55(66)75-57)73-56(67)72-33-37-25-34(4)24-36(53(37)70-31-35-12-14-38(15-13-35)63(68)69)32-71-54(65)43-30-61(7-3)48-29-49(62-22-20-59-21-23-62)47(58)28-42(48)52(43)64/h8-19,24-30,59H,5-7,20-23,31-33H2,1-4H3
SMILES Code
FC1=CC(C(C(C(OCC2=CC(C)=CC(COC(OC3=CC4=C(C5(C(C=CC=C6)=C6C(O5)=O)C(C=CC(N(CC)CC)=C7)=C7O4)C=C3)=O)=C2OCC8=CC=C([N+]([O-])=O)C=C8)=O)=CN9CC)=O)=C9C=C1N%10CCNCC%10
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 1,018.06 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
Kaplan D, Mayer AM, Lips SH. Nitrite activation of nitrate reductase in higher plants. Planta. 1978 Jan;138(3):205-9. doi: 10.1007/BF00386812. PMID: 24414047.