CGP 52432 - ≥98% , CAS No.139667-74-6

CAS: 139667-74-6 Cat. No.: C275485 Molecular Weight: 384.24

GRADE & PURITY ≥98%

Synonyms

AKOS021983735 | CGP-52432, | 3-[[(3,4-Dichlorophenyl)methyl]amino]propyl] diethoxymethyl)phosphinic acid | Biomol-NT_000239 | BRD-A04668240-001-01-5 | 3-[(3,4-dichlorobenzyl)amino]propyl(diethoxymethyl)phosphinic acid | D80638 | BCP29115 | [3-[[(3,4-Dichl

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Product Application：

CGP52432 has been used as a γ-aminobutyric acid B (GABAB) antagonist to study its effects on the simulation of the onset of status epilepticus (SE) in mice and to study its effects on the GABAB receptor-mediated neurotransmission in guinea pig hippocampus.

Specifications

Synonyms

AKOS021983735 | CGP-52432, | 3-[[(3, 4-Dichlorophenyl)methyl]amino]propyl] diethoxymethyl)phosphinic acid | Biomol-NT_000239 | BRD-A04668240-001-01-5 | 3-[(3, 4-dichlorobenzyl)amino]propyl(diethoxymethyl)phosphinic acid | D80638 | BCP29115 | [3-[[(3, 4-Dichl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent, selective GABA B antagonist (IC 50 = 85 nM). Also available in simple stock solutions add 1 ml of water to get an exact, ready-to-use concentration.

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757013
• Canonical Smiles: CCOC(OCC)P(=O)(CCCNCC1=CC(=C(C=C1)Cl)Cl)O
• IUPAC Name: 3-[(3,4-dichlorophenyl)methylamino]propyl-(diethoxymethyl)phosphinic acid
• InChIKey: GJZVQXWEIYRHBE-UHFFFAOYSA-N
• INCHI: 1S/C15H24Cl2NO4P/c1-3-21-15(22-4-2)23(19,20)9-5-8-18-11-12-6-7-13(16)14(17)10-12/h6-7,10,15,18H,3-5,8-9,11H2,1-2H3,(H,19,20)
• Isomeric SMILES: CCOC(OCC)P(=O)(CCCNCC1=CC(=C(C=C1)Cl)Cl)O
• Molecular Weight: 384.24
• Reaxy-Rn: 8346257
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8346257&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Aryl chlorides Dialkylamines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - Aralkylamine - Aryl chloride - Aryl halide - Secondary aliphatic amine - Secondary amine - Amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 10 mM
• Sensitivity: light sensitive
• Molecular Weight: 384.200 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 383.082 Da
• Monoisotopic Mass: 383.082 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1