4,4'-[Carbonylbis(azanediyl-4,1-phenylenecarbonylazanediyl)]bis{N-[4,6,8-tri(methanesulfonyl)naphthalen-1-yl]benzamide}
Basic information
- CAS
202983-32-2- Standard SMILES
CS(=O)(=O)c1cc(S(C)(=O)=O)c2c(NC(=O)c3ccc(NC(=O)c4ccc(NC(=O)Nc5ccc(C(=O)Nc6ccc(C(=O)Nc7ccc(S(C)(=O)=O)c8cc(S(C)(=O)=O)cc(S(C)(=O)=O)c78)cc6)cc5)cc4)cc3)ccc(S(C)(=O)=O)c2c1- InChIKey
HFBLZWGWOIKADK-UHFFFAOYSA-N- Molecular formula
- C55H48N6O17S6
- Average molar mass
- 1,257.4 g/mol
- Monoisotopic mass
- 1,256.1400211
Names & identifiers
- Preferred name
- 4,4'-[Carbonylbis(azanediyl-4,1-phenylenecarbonylazanediyl)]bis{N-[4,6,8-tri(methanesulfonyl)naphthalen-1-yl]benzamide}
- IUPAC
- N-[4,6,8-tris(methylsulfonyl)naphthalen-1-yl]-4-[[4-[[4-[[4-[[4,6,8-tris(methylsulfonyl)naphthalen-1-yl]carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzamide
- English name
- NF 279
- Molecular formula
- C49H37N6NaO23S6
- Molecular weight
- 1293.2
Names & synonyms
DTXSID807442734,4'-[Carbonylbis(azanediyl)]bis[N-(4-{[4,6,8-tri(methanesulfonyl)naphthalen-1-yl]carbamoyl}phenyl)benzamide]4,4'-[Carbonylbis(azanediyl-4,1-phenylenecarbonylazanediyl)]bis{N-[4,6,8-tri(methanesulfonyl)naphthalen-1-yl]benzamide}NF 279CS-319NF279 - CAS 202983-32-2 - Calbiochem8,8[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonicacidhex8,8'-[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonic acid8,81/2-[Carbonylbis-(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonic acid8,8'-(CARBONYLBIS(IMINO-4,1-PHENYLENECARBONYLIMINO-4,1-PHENYLENECARBONYLIMINO))BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, NA8,8'-[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonic acid sodium salt8,8'-[Carbonylbis(imino-4,1-phenylenecarbonylimino-4,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulfonicacidhexasodiumsalt
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 413 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 16
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,910
Physicochemical properties
- storage temp.
- -20 °C · Desiccate at -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- White solid
- color
- White to off-white
- Water Solubility
- 25 mM · Soluble to 25 mM in water
- Stability
- Hygroscopic
- InChIKey
- RJMCMLNRWDKUDB-UHFFFAOYSA-H
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesNF 279 is a potent and selective P2X1 antagonist.
General DescriptionA suramin analog that acts as a highly selective, competitive, and reversible ATP-antagonist of P2X receptor (IC50/KB ~1 μM in smooth muscle). Effectively discriminates between P2Y and P2X receptors with no discernible effects on α1A adrenoceptors, adenosine A1 and A2B receptors, histamine H1, muscarinic M3 and neuronal nicotinic acetylcholine receptors. Displays a selectivity profile of P2X1 >P2X2 >P2X3 >P2X4 (IC50 = 19 nM, 770 nM, 1.62 μM and >300 μM, respectively) in Xenopus oocytes pre-incubated with ATP. In rat and human tissues, exhibits a potency profile of rat P2X1 > human P2X1 rat P2X2 > rat P2X3 ~human P2X7 human P2X4. Not degraded by ecto-nucleotidases.
Related reactions
0 records
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Compound notes
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