109690-46-2

Basic information

• Product Name: 1-ETHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
• Synonyms: CHEMBRDG-BB 6557040;1-ETHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID;TIMTEC-BB SBB011850;1-ETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-3-CARBOXYLIC ACID;1-ethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid(SALTDATA: FREE)
• CAS NO: 109690-46-2
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.29
• Mol File: 109690-46-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 492.2°C at 760 mmHg
• Flash Point: 251.5°C
• Appearance: /
• Density: 1.255g/cm³
• Vapor Pressure: 1.66E-10mmHg at 25°C
• Refractive Index: 1.633
• PKA: 2.29±0.40(Predicted)
• CAS DataBase Reference: 1-ETHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID(109690-46-2)
• EPA Substance Registry System: 1-ETHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID(109690-46-2)

Safety Data

• Hazard Codes: T,N
• Statements: 25-51/53
• Safety Statements: 45-61
• HazardClass: IRRITANT
• Hazardous Substances Data: 109690-46-2(Hazardous Substances Data)

Usage

Complex structure

The compound has a complex structure that includes a beta-carboline backbone and a carboxylic acid functional group.

Beta-carboline derivative

It is a derivative of the beta-carboline alkaloid family, which is known for its potential psychoactive and medicinal properties.

Ethylated version

This particular compound is an ethylated version of the beta-carboline structure, which may affect its biological activity and pharmacological properties.

Potential as a drug

The presence of the carboxylic acid group suggests that it may have potential as a drug or pharmaceutical ingredient, as carboxylic acids are commonly used in drug formulations for their ability to improve solubility, stability, and bioavailability.

Ongoing research

Research on 1-ETHYL-2,3,4,9-TETRAHDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID is ongoing to further understand its potential uses and effects.

InChI:InChI=1/C14H16N2O2/c1-2-10-13-9(7-12(15-10)14(17)18)8-5-3-4-6-11(8)16-13/h3-6,10,12,15-16H,2,7H2,1H3,(H,17,18)

Upstream product

• 73327-08-9 cis-(3-(methoxycarbonyl)-1,2,3,4-tetrahydro-9H-pyrido<3,4-b>indol-1-yl)(1-ethane) 
• 73327-08-9 trans-(3-(methoxycarbonyl)-1,2,3,4-tetrahydro-9H-pyrido<3,4-b>indol-1-yl)(1-ethane) 
• 123-38-6 propionaldehyde 
• 54-12-6 Trp 
• 73-22-3 L-Tryptophan 

Relevant articles and documents

Discovery of pyridoindole derivatives as potential inhibitors for phosphodiesterase 5A: in silico and in?vivo studies

The aim of this work was to synthesise derivatives from identified plant based pyridoindole lead scaffold, and to assess phosphodiesterase 5A inhibitory potential by in silico and in?vivo. Pyridoindole derivatives were synthesised by using six-stage reactor. In silico screening was carried out by grip-based docking methodology. In step-I, tryptophan as a starting material was reacted with different aldehydes and ketones to obtain 11 molecules. In step-II, obtained molecules were reacted with ethanol and benzyl alcohols to obtain D1 to D22 derivatives. In silico investigation resulted in best three molecules D12, D4 and D8 with promising BE score. Oral acute toxicity study of selected molecules resulted in LD50 value 500 mg/kg in rats. The result of in?vivo antihypertensive study shown that molecule D12 was found to be the best antihypertensive lead molecule. This study could be a best platform to tailor novel biomolecules for inhibiting phosphodiesterase 5A enzyme in hypertension management.

Synthesis of 1,2,3,4-tetrahydro-β-carboline derivatives as hepatoprotective agents. IV. Positional isomers of 1,2,3,4 tetrahydro-2-methylthiothiocarbonyl-β-carboline-3-carboxylic acid and its 1-alkylated derivatives

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