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1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) is a complex organic compound that falls under the category of pyrrolo[2,3-b]pyridines. These are polycyclic aromatic compounds characterized by the fusion of a pyrrole ring with a pyridine ring. With a molecular formula of C9H6N2O, 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) is typically found in a solid state. It is recognized for its potential applications in diverse areas such as medicine, pharmacology, and biochemical research. However, comprehensive data on its biological activities, toxicity, and safety profile are currently limited, necessitating further investigation. Due to its chemical nature, it is advised to handle 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) with proper safety precautions.

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  • 394223-03-1 Structure
  • Basic information

    1. Product Name: 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)
    2. Synonyms: 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI);1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde;7-Azazindole-2-carboxyaldehyde;3-b]pyridine-2-carbaldehyde;7-Azaindole-2-carbaldehyde;7-azaindole-2-carboxaldehyde
    3. CAS NO:394223-03-1
    4. Molecular Formula: C8H6N2O
    5. Molecular Weight: 146.14604
    6. EINECS: N/A
    7. Product Categories: PYRIDINE;ALDEHYDE
    8. Mol File: 394223-03-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.369 g/cm3
    6. Refractive Index: 1.747
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 11.93±0.40(Predicted)
    10. CAS DataBase Reference: 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)(394223-03-1)
    12. EPA Substance Registry System: 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)(394223-03-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 394223-03-1(Hazardous Substances Data)

394223-03-1 Usage

Uses

Used in Pharmaceutical and Medicinal Chemistry:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) is utilized as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Biochemical Research:
In the field of biochemical research, 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) serves as a valuable tool for studying molecular interactions and mechanisms. Its structural properties make it a candidate for investigating new biochemical pathways and potential drug targets.
Used in Chemical Synthesis:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI) is employed as a starting material or building block in the synthesis of more complex organic molecules. Its versatility in chemical reactions contributes to the creation of novel compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 394223-03-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,4,2,2 and 3 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 394223-03:
(8*3)+(7*9)+(6*4)+(5*2)+(4*2)+(3*3)+(2*0)+(1*3)=141
141 % 10 = 1
So 394223-03-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H6N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-5H,(H,9,10)

394223-03-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1H-Pyrrolo[2,3-b]pyridine-2-carbaldehyde

1.2 Other means of identification

Product number -
Other names 1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:394223-03-1 SDS

394223-03-1Downstream Products

394223-03-1Relevant articles and documents

Synthesis and evaluation of RNase L-binding 2-aminothiophenes as anticancer agents

Borgelt, Lydia,Gasper, Raphael,Haacke, Neele,Hwang, Jimin,Imig, Jochen,Kanis, Laurin,Lampe, Philipp,Petroulia, Stavroula,Qiu, Xiaqiu,Schiller, Damian,Sievers, Sonja,Wu, Peng

, (2022/02/14)

Aminothiophene is a scaffold that is widely present in drugs and biologically active small molecules as chemical probes. In this study, 43 compounds sharing a 2-aminothiophenone-3-carboxylate (ATPC) scaffold, known to activate the ribonuclease L (RNase L), were synthesized and selected ATPCs showed enhancement of thermal stability of RNase L upon binding. Screening of antiproliferation activities against human cancer cell lines revealed that ATPCs represented by compounds 4l and 50 showed potent single-digit micromolar antiproliferation activity against human cancer cell lines. Compounds 4l and 50 exhibited time- and dose-dependent proliferation inhibition, induced cellular apoptosis measured by cleaved PARP and via flow cytometry, inhibited cell migration, and inhibited cell colony formation. Combining the results reported in this work, ATPCs were evaluated as potential anticancer agents mediated by RNase L-binding and apoptosis induction. The work contributes to the study on the polypharmacological properties of aminothiophene-containing small molecules.

COLLAGEN 1 TRANSLATION INHIBITORS AND METHODS OF USE THEREOF

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Paragraph 0078-0079; 00143-00144, (2021/10/30)

The present invention relates to novel Collagen 1 translation inhibitors, composition and methods of preparation thereof, and uses thereof for treating Fibrosis including lung, liver, kidney, cardiac and dermal fibrosis, IPF, wound healing, scarring and Gingival fibromatosis, Systemic Sclerosis, and alcoholic and non-alcoholic steatohepatitis (NASH).

HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS

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, (2019/04/16)

Heterocyclic compounds of Formula (I), (II), and (III) are described herein along with their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof. The compounds described herein, their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof are PAD4 inhibitors and may be useful in the treatment of various disorders, for example rheumatoid arthritis, vasculitis, systemic lupus erythematosis, cutaneous lupus erythematosis, ulcerative colitis, cancer, cystic fibrosis, asthma, multiple sclerosis and psoriasis.

IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS

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, (2019/05/10)

Heterocyclic compounds of Formula (I), (II), and (III) are described herein along with their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof. The compounds described herein, their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof are PAD4 inhibitors and may be useful in the treatment of various disorders, for example rheumatoid arthritis, vasculitis, systemic lupus erythematosis, cutaneous lupus erythematosis, ulcerative colitis, cancer, cystic fibrosis, asthma, multiple sclerosis and psoriasis. The process of preparation of the compounds of Formula (I), (II), and (III), their polymorphs, stereoisomers, prodrugs, solvates, co-crystals, intermediates, pharmaceutically acceptable salts, and metabolites thereof, along with a pharmaceutical composition comprising a compound of Formula (I), Formula (II), Formula (III), or a pharmaceutically acceptable salt thereof have also been described.

Peptidylarginine deiminase inhibitor and application thereof

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, (2019/09/10)

The invention belongs to the technical field of medicine, and particularly relates to a peptidylarginine deiminase PAD4 inhibitor compound shown in a formula (I) or pharmaceutically acceptable salts,stereoisomers and tautomers thereof, as well as pharmaceutical compositions, pharmaceutical preparations and application thereof. X, Y, R1, R2, R3, R4, R5, R7, R8, R9, ring B and m are as defined in the specification. The compound has inhibitory effect on peptidylarginine deiminase PAD4, and can be used for treating various diseases, such as rheumatoid arthritis, vasculitis, systemic lupus erythematosus, ulcerative colitis, multiple sclerosis, cystic fibrosis, cancer, cutaneous lupus erythematosus, asthma and psoriasis.

2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS

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, (2015/07/02)

Compounds of formula (I): wherein; R1 is hydrogen or C1-6alkyl;R2 is hydrogen, C1-6alkyl, perhalomethylC0-5alkyl-O—, or C1-6alkoxy;R3 is hydrogen, C1-6alkyl, or C1-6alkoxyC1-6alkyl;R4 is hydrogen, C1-6alkyl, perhalomethylC1-6alkyl; or unsubstituted C3-6cycloalkylC1-6 alkyl;A is C—R5 or N;B is C—R6 or N;D is C—R7 or N;with the proviso that at least one of A, B, and D, is N;R5 is hydrogen or C1-6alkyl;R6 is hydrogen or C1-6alkyl;R7 is hydrogen, C1-6alkyl, C1-6alkoxy, or hydroxy;R8 is hydrogen or C1-6alkyl, with the proviso that one of R4 and R8 is hydrogen;R9 is hydrogen or hydroxy;R10 is hydrogen or C1-6alkyl; and salts thereof are PAD4 inhibitors and may be useful in the treatment of various disorders, for example rheumatoid arthritis, vasculitis, systemic lupus erythematosus, ulcerative colitis, cancer, cystic fibrosis, asthma, cutaneous lupus erythematosis, and psoriasis.

2 - (AZAINDOL- 2 -YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS

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, (2014/02/16)

Compounds of formula (I) wherein; R1 is hydrogen or C1-6alkyl; R2 is hydrogen, C1-6alkyl, perhalomethylC0-5alkyl-O-, or C1-6alkoxy; R3 is hydrogen, C1-6alkyl, or C1-6alkoxyC1-6alkyl; R4 is hydrogen, C1-6alkyl, perhalomethylC1-6alkyl; or unsubstituted C3-6cycloalkylC1-6alkyl; A is C-R5 or N; B is C-R6 or N; D is C-R7 or N; with the proviso that at least one of A, B, and D, is N; R5 is hydrogen or C1-6alkyl; R6 is hydrogen or C1-6alkyl; R7 is hydrogen, C1-6alkyl, C1-6alkoxy, or hydroxy; R8 is hydrogen or C1-6alkyl, with the proviso that one of R4 and R8 is hydrogen; R9 is hydrogen or hydroxy; R10 is hydrogen or C1-6alkyl; and salts thereof are PAD4 inhibitors and may be useful in the treatment of various disorders, for example rheumatoid arthritis, vasculitis, systemic lupus erythematosus, ulcerative colitis, cancer, cystic fibrosis, asthma, cutaneous lupus erythematosis, and psoriasis.

LRRK2 INHIBITORS

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, (2013/02/28)

Provided herein are compounds that inhibit or partially inhibit the activity of leucine rich repeat kinases. Also provided herein are methods of treatment of CNS disorders comprising administration of inhibitors of leucine rich repeat kinases.

NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS

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Page/Page column 41, (2010/02/07)

Cyclohexane and cyclohexene derivatives and pharmaceutically acceptable derivatives hereof useful in methods of treatment of bacterial infections in mammals, particularly man.

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