3-Indolepropionic acid - Moligand™, 10mM in DMSO , 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.: I426148 Peso molecular: 189.21 Beilstein Registry Number: 147733 Número EC: 212-600-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

3-(Indol-3-yl)propanoic acid | BDBM31879 | Indole-3-propionic acid | 3-Indole propionic acid | 3-Indolepropionic acid | b-Indole-3-propionate | b-Indolepropionic acid | HY-W015229 | InChI=1/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

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.

Specifications

Sinónimos

3-(Indol-3-yl)propanoic acid | BDBM31879 | Indole-3-propionic acid | 3-Indole propionic acid | 3-Indolepropionic acid | b-Indole-3-propionate | b-Indolepropionic acid | HY-W015229 | InChI=1/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4, 7, 12H, 5-6H2

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Proton-coupled Amino acid Transporter 1

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CN2)CCC(=O)O
• WGK Alemania: 3
• RTECS: NM1329000
• Peso molecular: 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
    • Clase Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Explore this target

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mixed cortical cells (27 Activities)

Explore this target

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

Rotifers (49 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 130-136°C
• Peso molecular: 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

Referencias

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11. Xiaoxia Tian, Yue Dai, Yuanyuan Cheng, Lingdong Zhang, Rong-Mei Kong, Lian Xia, Cong Kong, Guoliang Li.  (2021)  Combination of pipette tip solid phase extraction and high performance liquid chromatography for determination of plant growth regulators in food samples based on the electrospun covalent organic framework/polyacrylonitrile nanofiber as highly efficient sorbent.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34883355] [10.1016/j.chroma.2021.462692]

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13. Jia Yin, Yujie Song, Yaozhong Hu, Yuanyifei Wang, Bowei Zhang, Jin Wang, Xuemeng Ji, Shuo Wang.  (2021)  Dose-Dependent Beneficial Effects of Tryptophan and Its Derived Metabolites on Akkermansia In Vitro: A Preliminary Prospective Study.  Microorganisms,  9  (7): (1511).  [PMID:34361945] [10.3390/microorganisms9071511]

14. Meng-Jun Li, Na Li, Guiju Xu, Ling-Xi Zhao, Xiangfeng Chen, Yanfang Zhao, Ru-Song Zhao.  (2021)  Magnetic boron nitride nanosheets as a novel magnetic solid-phase extraction adsorbent for the determination of plant growth regulators in tomatoes.  FOOD CHEMISTRY,      [PMID:33515950] [10.1016/j.foodchem.2021.129103]

15. Runsheng Si, Yehong Han, Di Wu, Fengxia Qiao, Ligai Bai, Zhiqiang Wang, Hongyuan Yan.  (2019)  Ionic liquid-organic-functionalized ordered mesoporous silica-integrated dispersive solid-phase extraction for determination of plant growth regulators in fresh Panax ginseng.  TALANTA,      [PMID:31594578] [10.1016/j.talanta.2019.120247]

16. Yunlei Zhou, Huanshun Yin, Yue Wang, Chengji Sui, Minghui Wang, Shiyun Ai.  (2018)  Electrochemical aptasensors for zeatin detection based on MoS2 nanosheets and enzymatic signal amplification.  ANALYST,  143  (21): (5185-5190).  [PMID:30264075] [10.1039/C8AN01356J]

17. Bingchen Li, Huanshun Yin, Yunlei Zhou, Minghui Wang, Jun Wang, Shiyun Ai.  (2017)  Photoelectrochemical detection of miRNA-319a in rice leaf responding to phytohormones treatment based on CuO-CuWO4 and rolling circle amplification.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2017.08.192]

18. Lin Bixia, Yu Ying, Liu Fangfei, Cao Yujuan, Guo Manli.  (2017)  Tunable and Nontoxic Fluorescent Probes Based on Carbon Dots for Imaging of Indole Propionic Acid Receptor in Plant Tissues in Situ.  JOURNAL OF FLUORESCENCE,  27  (4): (1495-1503).  [PMID:28508151] [10.1007/s10895-017-2089-z]

19. Dezhen Wang, Xinru Wang, Ping Zhang, Yao Wang, Renke Zhang, Jin Yan, Zhiqiang Zhou, Wentao Zhu.  (2016)  The fate of technical-grade chlordane in mice fed a high-fat diet and its roles as a candidate obesogen.  ENVIRONMENTAL POLLUTION,      [PMID:28041837] [10.1016/j.envpol.2016.11.028]

20. Mingyu Wang, Xiaochen Chang, Xingyu Wu, Hongyuan Yan, Fengxia Qiao.  (2016)  Water-compatible dummy molecularly imprinted resin prepared in aqueous solution for green miniaturized solid-phase extraction of plant growth regulators.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27378249] [10.1016/j.chroma.2016.06.047]

21. Na Li, Juan Chen, Yan-Ping Shi.  (2016)  Magnetic reduced graphene oxide functionalized with β-cyclodextrin as magnetic solid-phase extraction adsorbents for the determination of phytohormones in tomatoes coupled with high performance liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:26949214] [10.1016/j.chroma.2016.02.077]

22. Yunlei Zhou, Huanshun Yin, Jie Li, Bingchen Li, Xue Li, Shiyun Ai, Xiansheng Zhang.  (2015)  Electrochemical biosensor for microRNA detection based on poly(U) polymerase mediated isothermal signal amplification.  BIOSENSORS & BIOELECTRONICS,      [PMID:26700579] [10.1016/j.bios.2015.12.009]

23. Yi-Ping CAI, Zhi-Wei SUN, Xiao-Yan WANG, You-Rui SUO, Jin-Mao YOU.  (2015)  Determination of Plant Growth Regulators in Vegetable by High Performance Liquid Chromatography-Tandem Mass Spectrometry Coupled with Isotop-coded Derivatization.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/S1872-2040(15)60814-3]

24. Dan-dan Li, Ke-feng Ren, Hao Chang, Hai-bo Wang, Jin-lei Wang, Chao-jian Chen, Jian Ji.  (2013)  Cucurbit[8]uril Supramolecular Assembly for Positively Charged Ultrathin Films as Nanocontainers.  LANGMUIR,      [PMID:24147652] [10.1021/la4033332]

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26. Qingqing Zhang, Xuejin Mao, Jiexue Zhao, Weiming Xiao, Rui Cheng, Haijun Li, Xiantong Zeng, Jinqing Hu, Songlin Jiang, Yuanxing Wang.  (2025)  A facile and ultrafast dispersed solid extraction method for the determination of phytohormones in citrus based on a zirconium-based metal organic framework.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107228]

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28. Qixing Nie, Yonggan Sun, Wenbing Hu, Chunhua Chen, Qiongni Lin, Shaoping Nie.  (2024)  Glucomannan promotes Bacteroides ovatus to improve intestinal barrier function and ameliorate insulin resistance.  iMeta,      [PMID:38868507] [10.1002/imt2.163]

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