3-Indolepropionic acid（IPA） - Moligand™, ≥98% , Inhibitor of Proton-coupled Amino acid Transporter 1, CAS No.830-96-6, Inhibitor of Proton-coupled Amino acid Transporter 1

CAS: 830-96-6 Cat. No.: I103959 分子式: C₁₁H₁₁NO₂ 分子量: 189.21 Beilstein Registry Number: 147733 EC番号: 212-600-1

グレード＆純度 Moligand™, ≥98%

Synonyms

IPA|3-(Indol-3-yl)propanoic acid|Indole-3-propionic acid|3-Indole propionic acid|3-Indolepropionic acid|b-Indole-3-propionate|b-Indolepropionic acid|VP-20629|3-(3-Indolyl)propionate|b-Indolepropionate|b-Indole-3-propionic acid|3-(1H-Indol-3-yl)propionate|3-Indolepropenoic Acid|b-(3-Indolyl)propionic acid|SDCCGMLS-0065895.P001|3-(1H-Indol-3-yl)propionic acid|3-(1H-indol-3-yl)-propionic acid|IPA (auxin)|.beta.-Indole-3-propionic acid|3-(1H-Indol-3-yl)propanoic acid|indole-3-propanoic acid|beta-Indolylpropionate|1H-Indole-3-propanoic acid|Trihy(droxymethyl)aminomethane|3-(3-Indolyl)propionic acid|3-(3-indolyl)-propionic acid|beta-(3-Indolyl)propionic acid|beta-Indolepropionate|.beta.-Indolylpropionate|Acid, 7|beta-Indolepropionic acid|3-(1H-Indol-3-yl)propanoic acid #|3-(2-Carboxyethyl)-1H-indole|3-Indolepropionicacid|3-indolpropionic acid|1H-Indole-3-proponoic acid|3-(3-Indolyl)propanoate|beta-Indole-3-propionic acid|.beta.-(3-Indolyl)propionic acid|3-(3-Indole)propionic acid|beta-Indole-3-propionate|.beta.-Indolepropionic acid|Indole-3-propionic|Oxigon|Indolepropionic acid|Indolylpropionic Acid|indole-3-proprionic acid|3-(Indol-3-yl)propionic acid|b-(3-Indolyl)propionate|beta-(3-Indolyl)propionate|SHP622|SHP-622|VP 20629|1H-INDOLE-3-PROPIONIC ACID|3-Indolepropionate

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

概要

3-Indolepropionic acid is an effective inhibitor of aggregation of misfolded β-amyloid protein (Abeta). Three-component one-pot procedure has been reported to assemble 3-indolepropionic acids.

Function
3-Indolepropionic acid (Indolepropionic acid) is shown to be a powerful antioxidant with potential in the treatment for Alzheimer’s disease.

仕様

同義語

IPA | 3-(Indol-3-yl)propanoic acid | Indole-3-propionic acid | 3-Indole propionic acid | 3-Indolepropionic acid | b-Indole-3-propionate | b-Indolepropionic acid | VP-20629 | 3-(3-Indolyl)propionate | b-Indolepropionate | b-Indole-3-propionic acid | 3-(1H-Indol-3-yl)propionate | 3-Indolepropenoic Acid | b-(3-Indolyl)propionic acid | SDCCGM もっと見る

仕様と純度

Moligand™, ≥98%

保管条件

Protected from light,Room temperature,Desiccated

入荷

Normal

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of Proton-coupled Amino acid Transporter 1

純度

≥98%

名前と識別子

パブケム・シド

488179788

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488179788

カノニカル・スマイル

C1=CC=C2C(=C1)C(=CN2)CCC(=O)O

IUPAC Name

3-(1H-indol-3-yl)propanoic acid

InChIKey

GOLXRNDWAUTYKT-UHFFFAOYSA-N

INCHI

1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)

異性体SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)O

WGKドイツ

3

RTECS

NM1329000

分子量

189.21

Beilstein

147733

Reaxy-Rn

147733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: indol-3-yl carboxylic acid

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）

SLC36A1 Tchem Proton-coupled amino acid transporter 1 (1 Activities)

Discover Target: SLC36A1

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

KYAT1 Tbio Kynurenine--oxoglutarate transaminase I (96 Activities)

Discover Target: KYAT1

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

HepG2 (196354 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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作用メカニズム

化学的性質と物理的性質

• 溶解度: it is slightly soluble in water.
• 感度: Light sensitive.
• 融点（°C）: 130-136°C
• 分子量: 189.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.079 Da
• Monoisotopic Mass: 189.079 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 217.000
• 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

よくある質問

How should this product be stored?

Store in a cool place, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

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

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

The CAS Number is 830-96-6, the molecular formula is C11H11NO2, and the molecular weight is 189.21 g/mol. InChIKey GOLXRNDWAUTYKT-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.

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.