Cgp 35348
Basic information
- CAS
123690-79-9- Standard SMILES
CCOC(OCC)P(=O)(O)CCCN- InChIKey
QIIVUOWTHWIXFO-UHFFFAOYSA-N- Molecular formula
- C8H20NO4P
- Average molar mass
- 225.22 g/mol
- Monoisotopic mass
- 225.11299512
Overview
antagonizes both GABA-A and GABA-B receptors
Names & identifiers
- Preferred name
- Cgp 35348
- IUPAC
- 3-aminopropyl(diethoxymethyl)phosphinic acid
- English name
- CGP 35348
- Molecular formula
- C8H20NO4P
- Molecular weight
- 225.22
Names & synonyms
Cgp 35348P-(3-Aminopropyl)-P-diethoxymethylphosphinic acidDTXSID701540643-aminopropyl-(diethoxymethyl)phosphinic acid87TI61875HPhosphinic acid, (3-aminopropyl)(diethoxymethyl)-RefChem:918304DTXCID90214598123690-79-9CGP35348Cgp-353483-aminopropyl(diethoxymethyl)phosphinic acid
Show more names
C P 35348CGP 35348 hydrateCGP 35348, GABAB antagonist(3-Aminopropyl)(diethoxymethyl)phosphinic acid hydratespatial learning,neuromuscular,neonatal damage,CGP-35348,brain penetrant,GABA Receptor,CGP35348,Gamma-aminobutyric acid Receptor,centrally,GABAB,CGP 35348,Inhibitor,γ-Aminobutyric acid Receptor,inhibit,active
(3-aminopropyl)(diethoxymethyl)phosphinic acidPhosphinic acid, P-(3-aminopropyl)-P-(diethoxymethyl)-UNII-87TI61875HBiomol-NT_000237P-(3-Aminopropyl)-P-(diethoxymethyl)phosphinic acidCHEMBL40157(S)-(3-Aminopropyl)(Diethoxymethyl)phosphinic AcidBDBM50033003
Database identifiers
- CAS
123690-79-9- PubChem CID
- 107699
- DTXSID
DTXSID70154064- ChEMBL
CHEMBL40157- UNII
- 87TI61875H
- Nikkaji
- J347.041E
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: >10 mg/mL
- form
- solid
- color
- white
- Water Solubility
- Soluble in water (100mM)
- InChI
- 1S/C8H20NO4P.H2O/c1-3-12-8(13-4-2)14(10,11)7-5-6-9;/h8H,3-7,9H2,1-2H3,(H,10,11);1H2
- InChIKey
- SRBHGEXMDCJOMS-UHFFFAOYSA-N
- SMILES
- O.CCOC(OCC)P(O)(=O)CCCN
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 87 TI61875H · 87TI61875H
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to but do not activate GABA RECEPTORS, thereby blocking the actions of endogenous GAMMA-AMINOBUTYRIC ACID and GABA RECEPTOR AGONISTS.
Applications
UsesCGP 35348 hydrate has been used as a γ-aminobutyric acid-B (GABAB) receptor inhibitor:to study its effects on intrinsic optical signal (IOS) in rat hippocampusalone or in combination with sodium salicylate to study its effects on auditory responses in the rat′s dorsal cortex of ratto study its effects on hepatocellular carcinoma cells (HCC)
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
Loading…