Name: Phaclofen - Moligand™, ≥98% , Antagonist of GABA B receptor, CAS No.114012-12-3, Antagonist of GABA B receptor
SKU: P349383
Availability: InStock

Phaclofen - Moligand™, ≥98% , Antagonist of GABA B receptor, CAS No.114012-12-3, Antagonist of GABA B receptor

CAS: 114012-12-3 Cat. No.: P349383 分子式: C₉H¹³ClNO₃P 分子量: 249.63 EC番号: 634-548-2 PubChem CID: 1641

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Phaclofen - Moligand™, ≥98% CAS No(114012-12-3) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Phaclofen is a selective antagonist of the GABA|B|receptor. Phaclofen is a phosphonic acid derivative of the GABA|B|agonist Baclofen , and is described to competitively antagonize responses to exogenously applied Baclofen.

Specifications

同義語

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

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 B receptor

純度

≥98%

製品の性質

pKa	pKₐ: 1.87 (Predicted), pKₐ: 9.58 (Predicted)

名前と識別子

パブケム・シド	528772905
カノニカル・スマイル	C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
IUPAC Name	[3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
InChIKey	VSGNGLJPOGUDON-UHFFFAOYSA-N
INCHI	1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)
異性体SMILES	C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
WGKドイツ	3
RTECS	SZ6507000
PubChem CID	1641
分子量	249.63

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aralkylamines Aryl chlorides Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Organophosphonic acid - Organophosphonic acid derivative - Organic nitrogen compound - Primary amine - Organophosphorus compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors	Not available
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

3 D構造

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レビュー

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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Lot Number	Certificate Type	日付	商品
F2405622	Certificate of Analysis	Apr 27, 2024	P349383
F2405623	Certificate of Analysis	Apr 27, 2024	P349383
F2405626	Certificate of Analysis	Apr 27, 2024	P349383
F2405627	Certificate of Analysis	Apr 27, 2024	P349383

溶解度	Soluble in 1N NaOH (100 mM), 0.1 M HCl (13.3 mg/ml), methanol (19.3 mg/ml), water, and DMSO.
屈折率	n20D1.59 (Predicted)
沸点（°C）	~467.1° C at 760 mmHg (Predicted)
分子量	249.630 g/mol
XLogP3	-2.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	249.032 Da
Monoisotopic Mass	249.032 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	238.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1