Pyrrole-2-carboxylic acid - ≥98% , CAS No.634-97-9

CAS: 634-97-9 Cat. No.: P106858 Peso molecular: 111.1 Beilstein Registry Number: 80825 Número EC: 211-221-9

GRADE & PURITY ≥98%

Synonyms

Minalin | Z94599900 | A8742 | s5832 | 2NNB85QQT9 | Pyrrole-2-carboxylicacid | HY-W001963 | 5-Methyl-1-phenyl-1H-[1,2,3]triazole-4-carboxylicacid | AM20100569 | Minaline | Pyrrole-2-carboxylic acid, 99% | BB 0269481 | C05942 | EN300-13984 | 2-Pyrrolecarbox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Minalin | Z94599900 | A8742 | s5832 | 2NNB85QQT9 | Pyrrole-2-carboxylicacid | HY-W001963 | 5-Methyl-1-phenyl-1H-[1, 2, 3]triazole-4-carboxylicacid | AM20100569 | Minaline | Pyrrole-2-carboxylic acid, 99% | BB 0269481 | C05942 | EN300-13984 | 2-Pyrrolecarbox

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752351
• Sonrisas canónicas: C1=CNC(=C1)C(=O)O
• IUPAC Name: 1H-pyrrole-2-carboxylic acid
• InChIKey: WRHZVMBBRYBTKZ-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
• Isómeros SMILES: C1=CNC(=C1)C(=O)O
• WGK Alemania: 3
• Peso molecular: 111.1
• Beilstein: 80825
• Reaxy-Rn: 80825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Pyrrole carboxylic acids and derivatives
        • Level5 Pyrrole carboxylic acids
          • Level6 Pyrrole 2-carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Pyrrole carboxylic acids and derivatives
• Intermediate Tree Nodes: Pyrrole carboxylic acids
• Direct Parent: Pyrrole 2-carboxylic acids
• Alternative Parents: Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrole-2-carboxylic acid - Substituted pyrrole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
• External Descriptors: pyrrolecarboxylic 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

Objetivos asociados (no humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol.
• Punto de fusión (°C): 204-208°C
• Peso molecular: 111.100 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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

1. Qing Yang, Jun Wang, Jie Luo, Shuai Tan, Cai Hong Wang, Yong Wu.  (2023)  Polyacrylate-graft-polypyrrole Copolymer as Intrinsically Elastic Electrodes for Stretchable Supercapacitors.  ACS Applied Materials & Interfaces,      [PMID:37534699] [10.1021/acsami.3c08623]

2. Jingmin Cui, Yan Sun, Linqing Wang, Wenqiang Tan, Zhanyong Guo.  (2023)  Preparation of chitosan derivatives containing aromatic five-membered heterocycles for efficient antimicrobial and antioxidant activities.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37460067] [10.1016/j.ijbiomac.2023.125850]

3. Haixia Hu, Jiangtao Hu, Kang Xue, Hong Zhou, Xiao Yang, Lijun Wang, Xianggui Chen.  (2023)  A robust and facile colorimetric aptasensor for the detection of Salmonella Typhimurium based on the regulation of Fe3O4@Cu@PCPy yolk-shell nanozyme activity.  ANALYTICA CHIMICA ACTA,      [PMID:37573108] [10.1016/j.aca.2023.341618]

4. Meijie Liu, Zipeng Xing, Huanan Zhao, Sijia Song, Yichao Wang, Zhenzi Li, Wei Zhou.  (2022)  An efficient photo Fenton system for in-situ evolution of H2O2 via defective iron-based metal organic framework@ZnIn2S4 core-shell Z-scheme heterojunction nanoreactor.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35897176] [10.1016/j.jhazmat.2022.129436]

5. Wen Ma, Jinlin Yin, Xinfeng Chen, Chen Sun, Xueling Song, Honghan Fei.  (2022)  Isoreticular Postsynthetic Modification of Robust Organocopper(I) Halide Hybrids for Enhanced Broad-Band Emission and Turn-On NH3 Sensing.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.1c04442]

6. Dong-Liang Huang, Peng-Li Zhang, Ling-Ling Qu, Qiu-Yun Chen.  (2018)  Dye-sensitized hematite compososite photocatalyst and its photocatalytic performance of aerobic annulation.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2018.04.037]

7. Qing Yang, Yong Ma, Jun Wang, Shuai Tan, Caihong Wang, Yong Wu.  (2024)  Tensile-endurable nanolayered polypyrrole templated by liquid crystal for high-performance stretchable supercapacitors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154965]