sodium tetrafluoroborate

ID: ALA1780189

Chembl Id: CHEMBL1780189

Cas Number: 13755-29-8

PubChem CID: 4343483

Product Number: S140925

Max Phase: Preclinical

Molecular Formula: BF4Na

Molecular Weight: 109.79

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Sodium Tetrafluoroborate | Sodium Tetrafluroborate | Sodium tetrafluoroborate|13755-29-8|Sodium fluoroborate|Sodium fluoborate|Sodium borofluoride|Sodium boron fluoride|Sodium boron tetrafluoride|Sodium fluoroborate (NaBF4)|Sodium tetrafluoroborate(1-)|Sodium tetrafluroborate|sodium;tetrafluoroborate|Tetrafluoroborate, sodium|BORATE(1-), TETRAFLUORO-, SODIUM|CFC805A5WR|CHEMBL1780189|DTXSID9021477|NSC-77386|Apreton R|DTXCID801477|CAS-13755-29-8|Boron sodium fluoride (BNaF4)|BF4Na|NaBF4|EINECS 237Show More

Canonical SMILES:  F[B-](F)(F)F.[Na+]

Standard InChI:  InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1

Standard InChI Key:  KGJZTOFHXCFQIV-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

Associated Targets(Human)

CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Astrosclerin-3 (80 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Carbonic anhydrase (197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Carbonic anhydrase (37 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 109.79Molecular Weight (Monoisotopic): 109.9927AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1. Vullo D, Nishimori I, Minakuchi T, Scozzafava A, Supuran CT..  (2011)  Inhibition studies with anions and small molecules of two novel β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium.,  21  (12): [PMID:21570835] [10.1016/j.bmcl.2011.04.105]
2. Ohradanova A, Vullo D, Pastorekova S, Pastorek J, Jackson DJ, Wörheide G, Supuran CT..  (2012)  Anion inhibition studies of an α-carbonic anhydrase from the living fossil Astrosclera willeyana.,  22  (3): [PMID:22227210] [10.1016/j.bmcl.2011.12.085]
3. De Luca V, Vullo D, Scozzafava A, Carginale V, Rossi M, Supuran CT, Capasso C..  (2012)  Anion inhibition studies of an α-carbonic anhydrase from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1.,  22  (17): [PMID:22835873] [10.1016/j.bmcl.2012.06.106]
4. Vullo D, De Luca V, Scozzafava A, Carginale V, Rossi M, Supuran CT, Capasso C..  (2012)  Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense.,  22  (23): [PMID:23072866] [10.1016/j.bmcl.2012.09.065]
5. Nishimori I, Vullo D, Minakuchi T, Scozzafava A, Capasso C, Supuran CT..  (2013)  Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition.,  23  (1): [PMID:23200251] [10.1016/j.bmcl.2012.10.103]
6. Vullo D, Isik S, Del Prete S, De Luca V, Carginale V, Scozzafava A, Supuran CT, Capasso C..  (2013)  Anion inhibition studies of the α-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.,  23  (6): [PMID:23414807] [10.1016/j.bmcl.2013.01.084]
7. Monti SM, De Simone G, Dathan NA, Ludwig M, Vullo D, Scozzafava A, Capasso C, Supuran CT..  (2013)  Kinetic and anion inhibition studies of a β-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis.,  23  (6): [PMID:23414801] [10.1016/j.bmcl.2013.01.087]
8. Del Prete S, Vullo D, De Luca V, Carginale V, Scozzafava A, Supuran CT, Capasso C..  (2013)  A highly catalytically active γ-carbonic anhydrase from the pathogenic anaerobe Porphyromonas gingivalis and its inhibition profile with anions and small molecules.,  23  (14): [PMID:23769640] [10.1016/j.bmcl.2013.05.063]
9. Pan P, Vermelho AB, Scozzafava A, Parkkila S, Capasso C, Supuran CT..  (2013)  Anion inhibition studies of the α-carbonic anhydrase from the protozoan pathogen Trypanosoma cruzi, the causative agent of Chagas disease.,  21  (15): [PMID:23790722] [10.1016/j.bmc.2013.05.058]
10. Vullo D, Sai Kumar RS, Scozzafava A, Capasso C, Ferry JG, Supuran CT..  (2013)  Anion inhibition studies of a β-carbonic anhydrase from Clostridium perfringens.,  23  (24): [PMID:24210500] [10.1016/j.bmcl.2013.10.037]
11. Nishimori I, Vullo D, Minakuchi T, Scozzafava A, Osman SM, AlOthman Z, Capasso C, Supuran CT..  (2014)  Anion inhibition studies of two new β-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.,  24  (4): [PMID:24461298] [10.1016/j.bmcl.2013.12.124]
12. PubChem BioAssay data set, 
13. PubChem BioAssay data set, 
14. Del Prete S, Vullo D, Fisher GM, Andrews KT, Poulsen SA, Capasso C, Supuran CT..  (2014)  Discovery of a new family of carbonic anhydrases in the malaria pathogen Plasmodium falciparum--the η-carbonic anhydrases.,  24  (18): [PMID:25168745] [10.1016/j.bmcl.2014.08.015]
15. Vullo D, Del Prete S, Osman SM, Scozzafava A, Alothman Z, Supuran CT, Capasso C..  (2014)  Anion inhibition study of the β-class carbonic anhydrase (PgiCAb) from the oral pathogen Porphyromonas gingivalis.,  24  (18): [PMID:25168748] [10.1016/j.bmcl.2014.08.014]
16. De Luca V, Vullo D, Del Prete S, Carginale V, Scozzafava A, Osman SM, AlOthman Z, Supuran CT, Capasso C..  (2015)  Cloning, characterization and anion inhibition studies of a new γ-carbonic anhydrase from the Antarctic bacterium Pseudoalteromonas haloplanktis.,  23  (15): [PMID:26145820] [10.1016/j.bmc.2015.06.021]
17. Pinard MA, Lotlikar SR, Boone CD, Vullo D, Supuran CT, Patrauchan MA, McKenna R..  (2015)  Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.,  23  (15): [PMID:26068018] [10.1016/j.bmc.2015.05.029]
18. De Luca V, Vullo D, Del Prete S, Carginale V, Osman SM, AlOthman Z, Supuran CT, Capasso C..  (2016)  Cloning, characterization and anion inhibition studies of a γ-carbonic anhydrase from the Antarctic bacterium Colwellia psychrerythraea.,  24  (4): [PMID:26778292] [10.1016/j.bmc.2016.01.005]
19. Del Prete S, Vullo D, De Luca V, Carginale V, di Fonzo P, Osman SM, AlOthman Z, Supuran CT, Capasso C..  (2016)  Anion inhibition profiles of the complete domain of the η-carbonic anhydrase from Plasmodium falciparum.,  24  (18): [PMID:27480028] [10.1016/j.bmc.2016.07.034]
20. Del Prete S, Vullo D, Di Fonzo P, Osman SM, AlOthman Z, Supuran CT, Capasso C..  (2017)  Anion inhibition profiles of the γ-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei responsible of melioidosis and highly drug resistant to common antibiotics.,  25  (2): [PMID:27914949] [10.1016/j.bmc.2016.11.021]
21. Del Prete S, Vullo D, di Fonzo P, Carginale V, Supuran CT, Capasso C..  (2017)  Comparison of the anion inhibition profiles of the β- and γ-carbonic anhydrases from the pathogenic bacterium Burkholderia pseudomallei.,  25  (6): [PMID:28238511] [10.1016/j.bmc.2017.02.032]
22. Del Prete S, Vullo D, Osman SM, AlOthman Z, Donald WA, Winum JY, Supuran CT, Capasso C..  (2017)  Anion inhibitors of the β-carbonic anhydrase from the pathogenic bacterium responsible of tularemia, Francisella tularensis.,  25  (17): [PMID:28754318] [10.1016/j.bmc.2017.07.033]