MedKoo Cat#: 464538 | Name: 808-NM2

Description:

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

808-NM2 is a novel tumor-targeting NIR fluorophore-conjugated hypoxic tumor inhibitor, preferentially accumulating in hypoxic tumor cells, sensitively outlining the tumor contour, and effectively inhibiting tumor growth synergistically by chemotherapy and radiotherapy.

Chemical Structure

808-NM2
808-NM2
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464538

Name: 808-NM2

CAS#: unknown

Chemical Formula: C49H61BrN8O4

Exact Mass: 904.3999

Molecular Weight: 905.98

Elemental Analysis: C, 64.96; H, 6.79; Br, 8.82; N, 12.37; O, 7.06

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
808-NM2; 808NM2; 808 NM2;
IUPAC/Chemical Name
2-((E)-2-((E)-3-(2-((E)-3,3-dimethyl-1-(6-(2-nitro-1H-imidazol-1-yl)hexyl)indolin-2-ylidene)ethylidene)-2-methylcyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-1-(6-(2-nitro-1H-imidazol-1-yl)hexyl)-3H-indol-1-ium bromide
InChi Key
XJPQPUUOCWQAOE-UHFFFAOYSA-M
InChi Code
InChI=1S/C49H61N8O4.BrH/c1-37-38(25-27-44-48(2,3)40-21-10-12-23-42(40)54(44)33-16-8-6-14-31-52-35-29-50-46(52)56(58)59)19-18-20-39(37)26-28-45-49(4,5)41-22-11-13-24-43(41)55(45)34-17-9-7-15-32-53-36-30-51-47(53)57(60)61;/h10-13,21-30,35-36H,6-9,14-20,31-34H2,1-5H3;1H/q+1;/p-1
SMILES Code
O=[N+](C1=NC=CN1CCCCCC[N+]2=C(/C=C/C3=C(C)/C(CCC3)=C/C=C4N(CCCCCCN5C=CN=C5[N+]([O-])=O)C6=C(C=CC=C6)C/4(C)C)C(C)(C)C7=C2C=CC=C7)[O-].[Br-]
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
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 905.98 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: Chen S, Yu S, Du Z, Huang X, He M, Long S, Liu J, Lan Y, Yang D, Wang H, Li S, Chen A, Hao Y, Su Y, Wang C, Luo S. Synthesis of Mitochondria-Anchored Nitroimidazoles with a Versatile NIR Fluorophore for Hypoxic Tumor-Targeting Imaging and Chemoradiotherapy. J Med Chem. 2021 Mar 25;64(6):3381-3391. doi: 10.1021/acs.jmedchem.0c02250. Epub 2021 Mar 10. PMID: 33688738.