PD 151746 - 10mM in DMSO , CAS No.179461-52-0

CAS: 179461-52-0 Cat. No.: P422187 分子式: C11H8FNO2S 分子量: 237.25 PubChem CID: 5353866
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
3-(5-Fluoro-1H-indol-3-yl)-2-mercapto-2-propenoicacid
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
ドイツ (EU)*
Price
Qty
1ml
P422187-1ml
受注生産 · 8~12週間

$159.90

$210.90
保存 $51.00 (24.18%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

概要

Store at -20°C. Store In the Dark. Store under desiccating conditions. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

同義語
3-(5-Fluoro-1H-indol-3-yl)-2-mercapto-2-propenoicacid
仕様と純度
10mM in DMSO
生化学的・生理学的メカニズム
Cell permeable, selective, non-peptidic calpain inhibitor (K i values are 0.3 and 5 μM for calpain 1 and calpain 2, respectively). Stimulates phagocyte function via hFPR/hFPRL1 activation. Interacts with the Ca 2+ calpain sites.
保管条件
Protected from light,Store at -80°C
入荷
Dry ice packs + Cold packs
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。
アクションタイプ
INHIBITOR
名前と識別子
カノニカル・スマイル
C1=CC2=C(C=C1F)C(=CN2)C=C(C(=O)O)S
IUPAC Name
(Z)-3-(5-fluoro-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid
InChIKey
HWMQHECFXSVZGN-KMKOMSMNSA-N
INCHI
1S/C11H8FNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-5,13,16H,(H,14,15)/b10-3-
異性体SMILES
C1=CC2=C(C=C1F)C(=CN2)/C=C(/C(=O)O)\S
WGKドイツ
3
PubChem CID
5353866
分子量
237.25

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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Indoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct ParentIndoles
Alternative Parents Substituted pyrroles  Benzenoids  Aryl fluorides  Heteroaromatic compounds  Thioenols  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Alkylthiols  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioenol - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
CAPN1 Tchem Calpain-1 catalytic subunit (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CAPN2 Tchem Calpain 2 (185 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
CAPN1 Calpain 1 (219 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
感度air and light sensitive
分子量237.250 g/mol
XLogP32.500
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.026 Da
Monoisotopic Mass237.026 Da
Topological Polar Surface Area54.100 Ų
Heavy Atom Count16
Formal Charge0
Complexity321.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
ソリューション計算機
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