Basic information
- CAS
99777-90-9- Standard SMILES
O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1- InChIKey
JMONOAYAUIIKMS-UHFFFAOYSA-N- Molecular formula
- C35H26N4O21S6
- Average molar mass
- 1,031 g/mol
- Monoisotopic mass
- 1,029.9413809
Names & identifiers
- Preferred name
- 8-({3-[({3-[(4,6,8-Trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid
- IUPAC
- 8-[[3-[[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
- English name
- 1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis(imino-3,1-phenylenecarbonylimino)]bis- (9CI)
- Molecular formula
- C35H26N4O21S6
- Molecular weight
- 1030.99
Names & synonyms
NF 02399777-90-91,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis(imino-3,1-phenylenecarbonylimino)]bis-CHEMBL12061268-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid1,3,5-Naphthalenetrisulfonic acid, 8,8'-(carbonylbis(imino-3,1-phenylenecarbonylimino))bis-Lopac0_000810orb1741306SCHEMBL3358966SCHEMBL30392305DTXSID001018814BDBM50618935
Show more names
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis(imino-3,1-phenylenecarbonylimino)]bis- (9CI)
HSCI1_000294NCGC00163311-01NCGC00163311-02NCGC00163311-03T68175Q274509888,8'-(Carbonylbis(imino-3,1-phenylenecarbonylimino))bis-1,3,5-Naphthalenetrisulfonic acid8,8'-[carbonylbis(imino-3,1-phenylenecarbonylimino)]bis-1,3,5-naphthalenetrisulphonic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 476 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 2,350
Physicochemical properties
- Density
- 1.936 · 1.936±0.06 g/cm3(Predicted)
- pka
- -1.38 · -1.38±0.40(Predicted)
Chemistry & industry
Applications
DescriptionNF 023 is a potent, selective P2X1 purinoceptor antagonist.
UsesNF023 is a compound that inhibits X-BIR1/TAB1 assembly activity. NF023 can affect cell survival signaling pathways by interfering with XIAP-mediated NF-κB activation. NF023 also shows potential as a selective P2X1 adenylate receptor antagonist. This compound has the potential to synergize with existing pro-apoptotic drugs and play an important role in cancer suppression[1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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