CGP 35348 - Moligand™, ≥98% , Antagonist of GABA B1;Antagonist of GABA B receptor, CAS No.123690-79-9, Antagonist of GABA B1;Antagonist of GABA B receptor

CAS: 123690-79-9 Cat. No.: C274855 分子式: C₈H₂₀NO₄P 分子量: 225.22

グレード＆純度 Moligand™, ≥98%

Synonyms

3-aminopropyl(diethoxymethyl)phosphinic acid|(S)-(3-Aminopropyl)(Diethoxymethyl)phosphinic Acid|Biomol-NT_000237|Cgp 35348|Phosphinic acid, (3-aminopropyl)(diethoxymethyl)-|(3-Amino-propyl)-diethoxymethyl-phosphinic acid|(3-aminopropyl)(diethoxymethyl)phosphinic acid|CGP35348|Cgp-35348|P-(3-Aminopropyl)-P-diethoxymethylphosphinic acid|3-aminopropyl-(diethoxymethyl)phosphinic acid|CGP 35348 hydrate|(3-Aminopropyl)(diethoxymethyl)phos phinic acid|.BETA.-METHYLPHENETHYL ALCOHOL [FHFI]

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

3-aminopropyl(diethoxymethyl)phosphinic acid | (S)-(3-Aminopropyl)(Diethoxymethyl)phosphinic Acid | Biomol-NT_000237 | Cgp 35348 | Phosphinic acid, (3-aminopropyl)(diethoxymethyl)- | (3-Amino-propyl)-diethoxymethyl-phosphinic acid | (3-aminopropyl)(diethoxymethyl)phosphinic acid | CGP35348 | Cgp-35348 | P-(3-Aminopropyl)-P-diethoxymethylp もっと見る

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Selective GABA B antagonist (IC 50 = 34 μM). Brain penetrant in vivo . Also available in simple stock solutions - add 1 ml of water to get an exact, ready-to-use concentration.

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of GABA B1;Antagonist of GABA B receptor

注

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.

純度

≥98%

名前と識別子

パブケム・シド

528763720

カノニカル・スマイル

CCOC(OCC)P(=O)(CCCN)O

IUPAC Name

3-aminopropyl(diethoxymethyl)phosphinic acid

InChIKey

QIIVUOWTHWIXFO-UHFFFAOYSA-N

INCHI

1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)

異性体SMILES

CCOC(OCC)P(=O)(CCCN)O

分子量

225.22

Reaxy-Rn

7369173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7369173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• 分類: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organophosphorus compounds
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• 説明: 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

関連ターゲット（人間）

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)

GABBR1 Tclin GABA-B receptor 1 (184 Activities)

Discover Target: GABBR1

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

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

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

関連ターゲット（非人間）

Cavia porcellus (23802 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water to 100 mM
• 分子量: 225.220 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 225.113 Da
• Monoisotopic Mass: 225.113 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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