CGP 46381 - Moligand™ , Antagonist of GABA B receptor, CAS No.123691-14-5, Antagonist of GABA B receptor

CAS: 123691-14-5 Cat. No.: C288919 Fórmula: C₁₀H₂₂NO₂P Peso molecular: 219.26

GRAU & PUREZA Moligand™

Synonyms

3-Aminopropyl-cyclohexylmethylphosphinic acid|Phosphinic acid, (3-aminopropyl)(cyclohexylmethyl)-|Phosphinic acid, P-(3-aminopropyl)-P-(cyclohexylmethyl)-|CGP46381|3-aminopropyl(cyclohexylmethyl)phosphinic acid|3-aminopropyl-(cyclohexylmethyl)phosphinic acid|3-aminopropyl-(cyclohexylmethyl)-phosphinic acid|Biomol-NT_000238|(3-aminopropyl)(cyclohexylmethyl)phosphinic acid|PHOSPHINIC ACID,P-(3-AMINOPROPYL)-P-(CYCLOHEXYLMETHYL)-|Cgp 46381|Cgp-46381

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

3-Aminopropyl-cyclohexylmethylphosphinic acid | Phosphinic acid, (3-aminopropyl)(cyclohexylmethyl)- | Phosphinic acid, P-(3-aminopropyl)-P-(cyclohexylmethyl)- | CGP46381 | 3-aminopropyl(cyclohexylmethyl)phosphinic acid | 3-aminopropyl-(cyclohexylmethyl)phosphinic acid | 3-aminopropyl-(cyclohexylmethyl)-phosphinic acid | Biomol-NT_000238 | Show more

Especificações e pureza

Moligand™

Mecanismos bioquímicos e fisiológicos

Brain penetrant, selective GABABreceptor antagonist (IC50= 4.9μM).

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of GABA B receptor

Nomes e identificadores

Sorrisos canónicos

C1CCC(CC1)CP(=O)(CCCN)O

IUPAC Name

3-aminopropyl(cyclohexylmethyl)phosphinic acid

InChIKey

XOESDNIUAWGCLU-UHFFFAOYSA-N

INCHI

1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)

SMILES isoméricas

C1CCC(CC1)CP(=O)(CCCN)O

Peso molecular

219.26

Reaxy-Rn

7410825

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7410825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organophosphorus compounds
• Alternative Parents: Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organophosphorus compounds. These are organic compounds containing the phosphorus atom.
• 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

Alvos associados (humanos)

KCTD8 Tbio BTB/POZ domain-containing protein KCTD8 (0 Activities)

Discover Target: KCTD8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GABBR2 Tclin Gamma-aminobutyric acid type B receptor subunit 2 (0 Activities)

Discover Target: GABBR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GABBR1 Tclin Gamma-aminobutyric acid type B receptor subunit 1 (0 Activities)

Discover Target: GABBR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCTD12 Tchem BTB/POZ domain-containing protein KCTD12 (0 Activities)

Discover Target: KCTD12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCTD16 Tbio BTB/POZ domain-containing protein KCTD16 (0 Activities)

Discover Target: KCTD16

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 21.93, Max Conc. mM: 100
• Peso molecular: 219.260 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 219.139 Da
• Monoisotopic Mass: 219.139 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 202.000
• 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

Perguntas frequentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 123691-14-5, the molecular formula is C10H22NO2P, and the molecular weight is 219.26 g/mol. InChIKey XOESDNIUAWGCLU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.