7-Azaindole - ≥98% , CAS No.271-63-6

CAS: 271-63-6 Cat. No.: A124841 Molecular Weight: 118.14 Beilstein Registry Number: 23(3/4)1106 EC Number: 205-981-0

GRADE & PURITY ≥98%

Synonyms

NCIOpen2_000707 | CHEBI:194830 | HY-50542 | 1-H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine | AKOS000446848 | BDBM16223 | GVH | SY001940 | 1H-pyrrolo(2,3-b)-pyridine | Pyrrolo(2,3-b)pyridine | PB32078 | Z271099378 | 1,7-Dideazapurine | NCGC00188278

Storage

Room temperature

Shipped In

Normal

Overview

A heterocyclic molecule that can be utilized as a pharmaceutical building block, Starting material in a recent synthesis of azaserotonin.

Specifications

Synonyms

NCIOpen2_000707 | CHEBI:194830 | HY-50542 | 1-H-pyrrolo[2, 3-b]pyridine | 1H-Pyrrolo[2, 3-b]pyridine | AKOS000446848 | BDBM16223 | GVH | SY001940 | 1H-pyrrolo(2, 3-b)-pyridine | Pyrrolo(2, 3-b)pyridine | PB32078 | Z271099378 | 1, 7-Dideazapurine | NCGC00188278

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751802
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751802
• Canonical Smiles: C1=CC2=C(NC=C2)N=C1
• IUPAC Name: 1H-pyrrolo[2,3-b]pyridine
• InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
• Isomeric SMILES: C1=CC2=C(NC=C2)N=C1
• WGK Germany: 3
• RTECS: UY8710000
• Molecular Weight: 118.14
• Beilstein: 23(3/4)1106
• Reaxy-Rn: 109667
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109667&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• External Descriptors: Not available

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

Associated Targets(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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

INSR Tclin Insulin receptor (5558 Activities)

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

ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)

Discover Target: ERBB2

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

IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

Discover Target: IGF1R

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

PRKCZ Tchem Protein kinase C zeta (2414 Activities)

Discover Target: PRKCZ

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FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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CAMK2B Tchem CaM kinase II beta (1626 Activities)

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

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AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

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IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

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AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

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RPS6KA4 Tchem Ribosomal protein S6 kinase alpha 4 (2104 Activities)

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

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RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

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PRKCE Tchem Protein kinase C epsilon (1520 Activities)

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PRKCG Tchem Protein kinase C gamma (2471 Activities)

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PRKD3 Tchem Protein kinase C nu (2315 Activities)

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PRKD1 Tchem Protein kinase C mu (1904 Activities)

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RAF1 Tclin Serine/threonine-protein kinase RAF (4169 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)

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RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

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CAMK4 Tbio CaM kinase IV (2116 Activities)

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KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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PRKG1 Tchem cGMP-dependent protein kinase 1 beta (2814 Activities)

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MAPK13 Tchem MAP kinase p38 delta (2605 Activities)

Discover Target: MAPK13

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MAPKAPK2 Tchem MAP kinase-activated protein kinase 2 (4814 Activities)

Discover Target: MAPKAPK2

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MAPKAPK5 Tchem MAP kinase-activated protein kinase 5 (2831 Activities)

Discover Target: MAPKAPK5

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ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

Discover Target: ROCK2

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PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

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ABL2 Tchem Tyrosine-protein kinase ABL2 (1851 Activities)

Discover Target: ABL2

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PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

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MET Tclin Hepatocyte growth factor receptor (10718 Activities)

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PRKCH Tchem Protein kinase C eta (1863 Activities)

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CAMK2D Tchem CaM kinase II delta (2813 Activities)

Discover Target: CAMK2D

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

PRKCA Tchem Protein kinase C alpha (5923 Activities)

Discover Target: PRKCA

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MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

Discover Target: MAPK3

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

CSNK1A1 Tchem Casein kinase I alpha (2581 Activities)

Discover Target: CSNK1A1

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

FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)

Discover Target: FYN

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Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

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

Prkcd Protein kinase C delta (192 Activities)

Discover Target: Prkcd

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

Prkcb Protein kinase C beta (2 Activities)

Discover Target: Prkcb

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

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Camk2g CaM kinase II gamma (1 Activities)

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PYGM Glycogen phosphorylase, muscle form (1331 Activities)

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

Dyrk1a Dual specificity tyrosine-phosphorylation-regulated kinase 1A (1629 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Boil Point(°C): 270°C
• Melt Point(°C): 105-107°C
• Molecular Weight: 118.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.053 Da
• Monoisotopic Mass: 118.053 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 9
• 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

References

1. Jianxun Wu, Chao Ma, Weilai Zhang, Weifeng Chang, Yahe Zhang, Quan Shi.  (2023)  Molecular characterization of non-polar sulfur compounds in the full boiling range crude oil fractions.  FUEL,      [PMID:] [10.1016/j.fuel.2022.127323]

2. Bin Jiang, Zhaohe Huang, Luhong Zhang, Yongli Sun, Huawei Yang, Hanrong Bi.  (2016)  Highly efficient and reversible CO2 capture by imidazolate-based ether-functionalized ionic liquids with a capture transforming process.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2016.10.009]