ID: ALA1060

Max Phase: Approved

First Approval: 1957

Molecular Formula: HNa2O4P

Molecular Weight: 141.96

Molecule Type: Small molecule

Representations

Synonyms (8): Sodium orthophosphate | Sodium phosphate | Sodium phosphate dibasic | Sodium phosphate, unspecified | E-339(II) | FEMA NO. 2398 | INS NO.339(II) | INS-339(II)
Synonyms from Alternative Forms(8):

Trade Names(1): Neutral sod phos

Canonical SMILES:  O=P([O-])([O-])O.[Na+].[Na+]

Standard InChI:  InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2

Standard InChI Key:  BNIILDVGGAEEIG-UHFFFAOYSA-L

Molecule Features

Natural Product: No

Oral: Yes

Chemical Probe: No

Parenteral: Yes

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: Yes

Prodrug: No

Properties

Molecular Weight: 141.96

Molecular Weight (Monoisotopic): 141.9408

AlogP:

#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. Blanchard JL, Epstein DM, Boisclair MD, Rudolph J, Pal K..  (1999)  Dysidiolide and related gamma-hydroxy butenolide compounds as inhibitors of the protein tyrosine phosphatase, CDC25.,  9  (17): [PMID:10498203] [10.1016/s0960-894x(99)00431-x]

2. Rusconi S, Innocenti A, Vullo D, Mastrolorenzo A, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet.,  14  (23): [PMID:15501037] [10.1016/j.bmcl.2004.09.064]

3. Unpublished dataset, 

4. Sánchez-Navarro JA, Cañizares MC, Cano EA, Pallás V..  (2007)  Plant tissue distribution and chemical inactivation of six carnation viruses.,  26  (7): [PMID:32287715] [10.1016/j.cropro.2006.09.016]

5. WHO Anatomical Therapeutic Chemical Classification, 

6. British National Formulary (72nd edition), 

7. Unpublished dataset, 

8. Sara Tremolada; Loredana Redaelli; Lia Scarabottolo.  (2022)  Membrane potential-based assay for SLC34A1 using HEK293 JumpIn SLC34A1 OE cells,  [10.5281/zenodo.7355196]

Source

Source(6):

• Scientific Literature
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• WHO Anatomical Therapeutic Chemical Classification
• British National Formulary
• RESOLUTE - Research Empowerment on Solute Carriers