ChemFOnt: Showing chemical card for (3-Aminopropyl)(n-butyl)phosphinic acid (CFc000229394)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:56:04 UTC

Chemfont ID

CFc000229394

Molecule Identification

Common Name

(3-Aminopropyl)(n-butyl)phosphinic acid

Definition

SGS-742 belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus atom. SGS-742 is a very strong basic compound (based on its pKa). SGS742 significantly enhances the release of glutamate, aspartate, glycine and somatostatin in vivo. Single doses cause a significant enhancement of the mRNA and protein levels of NGF and BDNF in the cortex and hippocampus of rats. SGS742 blocks the late inhibitory postsynaptic potential and the paired-pulse inhibition of population spikes recorded from CA1 pyramidal neurons of the hippocampus of rats in vitro and in vivo. Chronic administration of SGS742 causes an up-regulation of GABA(B) receptors in the frontal cortex of rats.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(3-Aminopropyl)(N-butyl)phosphinic acid	MeSH
3-Aminopropyl-N-butyl phosphinic acid	MeSH
SGS-742	MeSH

Chemical Formula

C₇H₁₈NO₂P

Average Molecular Weight

179.2

Monoisotopic Molecular Weight

179.107515822

IUPAC Name

(3-aminopropyl)(butyl)phosphinic acid

Traditional Name

3-aminopropyl(butyl)phosphinic acid

CAS Registry Number

Not Available

SMILES

CCCCP(O)(=O)CCCN

InChI Identifier

InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)

InChI Key

ONNMDRQRSGKZCN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus atom.

Kingdom

Organic compounds

Super Class

Organophosphorus compounds

Class

Not Available

Sub Class

Not Available

Direct Parent

Organophosphorus compounds

Alternative Parents

Substituents

Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organophosphorus compound
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	21.2 g/L	ALOGPS
logP	0.19	ALOGPS
logP	-1.3	ChemAxon
logS	-0.93	ALOGPS
pKa (Strongest Acidic)	1.92	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	47.62 m³·mol⁻¹	ChemAxon
Polarizability	19.46 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

DB05010

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

130021

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (3-Aminopropyl)(n-butyl)phosphinic acid (CFc000229394)

MOL for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

3D MOL for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

3D SDF for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

3D-SDF for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

PDB for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

3D PDB for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

SMILES for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

INCHI for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

Structure for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)

3D Structure for CFc000229394 ((3-Aminopropyl)(n-butyl)phosphinic acid)