PF-543 - Moligand™, ≥98% , Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2, CAS No.1415562-82-1, Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2

Name: PF-543 - Moligand™, ≥98% , Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2, CAS No.1415562-82-1, Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2
Brand: Aladdin Scientific
SKU: P125702
Availability: InStock

CAS: 1415562-82-1 Cat. No.: P125702 分子式: C₂₇H₃₁NO₄S 分子量: 465.6

COA

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PF-543 - Moligand™, ≥98% CAS No(1415562-82-1) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? ≥98%

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要仕様名前と識別子ドキュメント詳細データ 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よくある質問

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このグレードを選ぶ理由

Moligand™, ≥98% Moligand™ ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。

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保管・配送

Store at -20°C Ice chest + Ice pads に出荷。正確な仕様については、ロット固有の COA をご確認ください。

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品質書類

SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。

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文献的裏付け

クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。

概要

product description：

PF-543 (Sphingosine Kinase 1 Inhibitor II) is a potent, selective, reversible and sphingosine-competitive SPHK1 inhibitor with an IC50 of 2 nM and a Ki of 3.6 nM. PF-543 is >100-fold selectivity for SPHK1 over SPHK2. PF-543 is an effective potent inhibitor of sphingosine 1-phosphate (S1P) formation in whole blood with an IC50 of 26.7 nM. PF-543 induces apoptosis, necrosis, and autophagy.

仕様

同義語

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

PF-543 is a novel cell-permeant inhibitor of SphK1. PF-543 inhibits SphK1 with a K(i) of 3.6 nM, is sphingosine-competitive and is more than 100-fold selective for SphK1 over the SphK2 isoform. PF-543 is the most potent inhibitor of SphK1

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

INHIBITOR

作用メカニズム

Inhibitor of sphingosine kinase 1;Inhibitor of sphingosine kinase 2

純度

≥98%

名前と識別子

パブケム・シド

504771842

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771842

カノニカル・スマイル

CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCCC3CO)CS(=O)(=O)C4=CC=CC=C4

IUPAC Name

[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol

InChIKey

NPUXORBZRBIOMQ-RUZDIDTESA-N

INCHI

1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1

異性体SMILES

CC1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3CCC[C@@H]3CO)CS(=O)(=O)C4=CC=CC=C4

分子量

465.6

Reaxy-Rn

27669004

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27669004&ln=

ドキュメント

📋 安全データシート（SDS）

危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。

<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3

✅ 分析証明書（COA）

ロット固有の品質データ。ロット番号を入力して、正確な COA を取得してください。

COA を検索 →

📊 データシート

製品仕様と用途のクイックリファレンス概要。

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🔬 仕様書

このグレードの完全な品質特性と合格基準。

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詳細データ

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Toluenes Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Sulfones Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonyl group - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - N-alkylpyrrolidine - Pyrrolidine - Sulfone - Sulfonyl - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Primary alcohol - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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

Lot Number	Certificate Type	日付	商品
C23031092	Certificate of Analysis	Sep 01, 2026	P125702
C23031093	Certificate of Analysis	Sep 01, 2026	P125702
C23031121	Certificate of Analysis	Sep 01, 2026	P125702
C23031122	Certificate of Analysis	Sep 01, 2026	P125702

溶解度	DMSO mg/mL Water mg/mL Ethanol mg/mL
分子量	465.600 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	465.197 Da
Monoisotopic Mass	465.197 Da
Topological Polar Surface Area	75.200 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	679.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

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レビュー

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1415562-82-1, the molecular formula is C27H31NO4S, and the molecular weight is 465.6 g/mol. InChIKey NPUXORBZRBIOMQ-RUZDIDTESA-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.

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