Basic information
- CAS
389142-38-5- Standard SMILES
O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1- InChIKey
FXAIVMYRMNONEG-UHFFFAOYSA-N- Molecular formula
- C41H32N6O29S8
- Average molar mass
- 1,329.3 g/mol
- Monoisotopic mass
- 1,327.8979384
Names & identifiers
- Preferred name
- NF-449
- IUPAC
- 4-[[3-[[3,5-bis[(2,4-disulfophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid
- English name
- NF 449
- Molecular formula
- C41H32N6O29S8
- Molecular weight
- 1329.24
Names & synonyms
nf449NF-449RV4PVU9V2A389142-38-5DTXSID6010261004,4',4'',4'''-(Carbonylbis(imino-5,1,3-benzenetriylbis(carbonylimino)))tetrakis(1,3-benzenedisulfonic acid)1,3-disodium 4-((3-(((3,5-bis((2,4-bis((sodiooxy)sulfonyl)phenyl)carbamoyl)phenyl)carbamoyl)amino)-5-((2,4-bis((sodiooxy)sulfonyl)phenyl)carbamoyl)benzene)amido)benzene-1,3-disulfonateRefChem:927689DTXCID101510356NF 449UNII-RV4PVU9V2ACHEMBL1615557
Show more names
NF449 OCTASODIUM SALTNF449 - CAS 389142-38-5 - Calbiochem1,3-Benzenedisulfonic acid, 4,4',4'',4'''-[carbonylbis[imino-5,1,3-benzenetriylbis(carbonylimino)]]tetrakis-4,4',4'',4'''-[CARBONYL-BIS[IMINO-5,1,3-BENZENETRIYL BIS-(CARBONYLIMINO)]]TETRAKIS-(BENZENE-1,3-DISULFONIC ACID, 8NA)4,4',4'',4'''-(Carbonylbis(imino-5,1,3-benzenetriyl-bis(carbonylimino)))tetrakis-1,3-benzenedisulfonicacid,octasodium4,4',4'',4'''-[Carbonylbis(imino-5,1,3-benzenetriyl-bis(carbonylimino))]tetrakis-1,3-benzenedisulfonic acid octasodium salt
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 660 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 18
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,990
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Density
- 1.991 · 1.991±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble
- form
- solid
- pka
- -2.03 · -2.03±0.50(Predicted)
- color
- white
- Stability
- Hygroscopic
- FDA UNII
- 4 PVU9V2A · RV4PVU9V2A
- WGK Germany
- 3 · 3
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
- 3
Chemistry & industry
Applications
UsesNF449 is a known P2X1 receptor antagonist used to regulate the intravascular platelet aggregation commonly seen in systematic thromboembolism.
Suppliers10 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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