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1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, ethyl ester, (S)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

80994-42-9

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80994-42-9 Usage

Derivative of pyridoindole-3-carboxylic acid

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, ethyl ester, (S)- is derived from pyridoindole-3-carboxylic acid, which is a tricyclic indole with a carboxylic acid group.

Ethyl ester

The compound is an ethyl ester, meaning it is formed from the reaction of ethanol with the carboxylic acid group of the molecule. This adds an ethoxy group (-OCH2CH3) to the molecule.

Tetrahydro group

The compound contains a tetrahydro group, which indicates the presence of four hydrogen atoms bonded to the carbon atoms in the ring structure. This adds additional complexity to the molecule and can affect its physical and chemical properties.

(S)configuration

The (S)designation indicates that the compound is in its stereochemically pure form, with all the substituents attached to the stereocenter in the S (sinister) configuration. This can affect the compound's interactions with other molecules and its biological activity.

Potential applications

1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, ethyl ester, (S)has potential applications in the pharmaceutical or chemical industries. Its specific properties and uses would depend on its intended application, such as a precursor for the synthesis of other compounds or as an active ingredient in a drug formulation.

Check Digit Verification of cas no

The CAS Registry Mumber 80994-42-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,9,9 and 4 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 80994-42:
(7*8)+(6*0)+(5*9)+(4*9)+(3*4)+(2*4)+(1*2)=159
159 % 10 = 9
So 80994-42-9 is a valid CAS Registry Number.

80994-42-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl (S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

1.2 Other means of identification

Product number -
Other names (S)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid ethyl ester

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:80994-42-9 SDS

80994-42-9Relevant academic research and scientific papers

Molecular hybrid design, synthesis, in vitro and in vivo anticancer evaluation, and mechanism of action of N-acylhydrazone linked, heterobivalent β-carbolines

Chen, Wei,Chen, Xiaofei,Dai, Bin,Fan, Wenxi,Guo, Liang,Ma, Qin,Zhang, Jie

, (2020/02/05)

A series of N-acylhydrazone-linked, heterobivalent β-carboline derivatives was designed and synthesized from L-tryptophan in a nine-step reaction sequence. The effort resulted in the heterobivalent β-carbolines 10a–t in good yields. The target compounds were characterized by 1H NMR, 13C NMR and high-resolution mass spectrometry (HRMS). The in vitro cytotoxic activity of the synthesized compounds was evaluated against normal EA.HY926 cells and five cancer cell lines: LLC (Lewis lung carcinoma), BGC-823 (gastric carcinoma), CT-26 (murine colon carcinoma), Bel-7402 (liver carcinoma), and MCF-7 (breast carcinoma). Compound 10e, with an IC50 value of 2.41 μM against EA.HY926 cells, was the most potent inhibitor. It showed cytotoxicity against all five cancer cell lines of different origin – murine and human, with IC50 values ranging from 4.2 ± 0.7 to 18.5 ± 3.1 μM. A study of structure-activity relationships indicated that the influence on cytotoxic activities of the substituent in the R9′-position followed the tendency, 2,3,4,5,6-perfluorophenylmethyl > 4-fluorobenzyl > 3-phenylpropyl group. The antitumor efficacies of the selected compounds were also evaluated in mice. Compound 10e exhibited potent antitumor activity, with tumor inhibition of more than 40% for Sarcoma 180 and 36.7% for Lewis lung cancer. Furthermore, the pharmacological mechanisms showed that compound 10e has a certain impairment in the motility of LLC cells, which suggests the anti-metastatic potential. And compound 10e inhibited angiogenesis in chicken chorioallantoic membrane assay, and the anti-angiogenetic potency was more potent than the reference drug combretastatin A4-phosphate (CA4P) at a concentration 50 μM.

3-di-amine β- carboline base compound, preparation method and pharmaceutical composition and application thereof

-

, (2020/04/29)

The invention discloses a 3-position diamine connected beta-carboline alkali compound, and a preparation method, a medicinal composition and a use thereof. The above di-beta-carboline alkali compound and its medicinal salt are represented by general formu

Design, synthesis, and biological evaluation of novel N-acylhydrazone bond linked heterobivalent β-carbolines as potential anticancer agents

Chen, Xiaofei,Guo, Liang,Ma, Qin,Chen, Wei,Fan, Wenxi,Zhang, Jie

, (2019/08/22)

Utilizing a pharmacophore hybridization approach, we have designed and synthesized a novel series of 28 new heterobivalent β-carbolines. The in vitro cytotoxic potential of each compound was evaluated against the five cancer cell lines (LLC, BGC-823, CT-26, Bel-7402, and MCF-7) of different origin—murine and human, with the aim of determining the potency and selectivity of the compounds. Compound 8z showed antitumor activities with half-maximal inhibitory concentration (IC50) values of 9.9 ± 0.9, 8.6 ± 1.4, 6.2 ± 2.5, 9.9 ± 0.5, and 5.7 ± 1.2 μM against the tested five cancer cell lines. Moreover, the effect of compound 8z on the angiogenesis process was investigated using a chicken chorioallantoic membrane (CAM) in vivo model. At a concentration of 5 μM, compound 8z showed a positive effect on angiogenesis. The results of this study contribute to the further elucidation of the biological regulatory role of heterobivalent β-carbolines and provide helpful information on the development of vascular targeting antitumor drugs.

?-CARBOLINE, DIHYDRO-?-CARBOLINE AND TETRAHYDRO-?-CARBOLINE ALKALOID DERIVATIVES AND PREPARATION METHODS SAME AND USE IN ASPECTS OF PREVENTING AND TREATING PLANT VIRUSES, FUNGICIDES AND INSECTICIDES

-

Paragraph 0161-0162, (2016/11/28)

The present invention relates to β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives (I) and a method for preparing same and the use in the aspects of preventing and treating plant viruses, fungicides and insecticides. For the meaning of each group in formula (I) see the description. The β-carboline, dihydro-β-carboline and tetrahydro-β-carboline alkaloid derivatives of the present invention show a particularly ourstanding anti-plant virus activity, and also have fungicidal and insecticidal activities.

Design, synthesis, anti-TMV, fungicidal, and insecticidal activity evaluation of 1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid derivatives based on virus inhibitors of plant sources

Song, Hong-Jian,Liu, Yong-Xian,Liu, Yu-Xiu,Huang, Yuan-Qiong,Li, Yong-Qiang,Wang, Qing-Min

, p. 5228 - 5233 (2015/01/08)

By drawing the creation ideas of botanical pesticides, a series of tetrahydro-β-carboline-3-carboxylic acid derivatives were designed and synthesized, and first evaluated for their anti-TMV, fungicidal and insecticidal activities. Most of these derivatives exhibited good antiviral activity against TMV both in vitro and in vivo. Especially, the activities of compounds 8 and 15 in vivo were higher than that of ribavirin. The compound 8 exhibited more than 70% fungicidal activities against Cercospora arachidicola Hori, Alternaria solani, Bipolaris maydis, and Rhizoctonia solani at 50 mg/kg, compounds 16 and 20 exhibited more than 60% insecticidal activities against Mythimna separate and Ostrinia nubilalis.

Synthesis and biological evaluation of novel β-carboline derivatives as antiproliferative agents

Chen, Jing,Du, Wenting,Tao, Xuefen,Huang, Jiawei,Song, Yuliang,Ying, Huazhou

, p. 879 - 885 (2013/12/04)

A series of novel β-carboline derivatives was synthesized and evaluated for their cytotoxic activities in vitro against two human tumor cell lines. Most of the compounds showed moderate to potent cytotoxic activities against the tested cell lines, in whic

Esters of 6-(4'-Fluorobenzylamino)-β-carboline-3-carboxylic acid as potential benzodiazepine imaging agents for P.E.T.

Elder,Mach,Nowak,Moroney,Rao,Ehrenkaufer

, p. 205 - 211 (2007/10/02)

As potential P.E.T. imaging agents for the benzodiazepine receptor, two fluorine-18 labeled analogues of the β-carbolines were prepared via N-alkylation of the corresponding desbenzyl amine precursors with [18F]fluorobenzyl iodide.

Tetrahydro-β-carboline derivatives and treatment of liver diseases

-

, (2008/06/13)

Novel tetrahydro-β-carboline derivatives of the formula: STR1 wherein R1 is carboxyl, a lower alkoxycarbonyl, carbamoyl, an N,N-di-lower alkylcarbamoyl, an N-(phenyl-substituted lower alkylidenamino)carbamoyl, a [N,N-di(lower alkyl)amino]-lower alkyl, or a nitrogen-containing monocyclic heterocyclic group; R2 is hydrogen atom, a lower alkyl, or a hydroxy-lower alkyl group, or R2 is combined with R1 to form a group: --CO--O--CH2 --; R3 is hydrogen atom, a lower alkyl, a phenyl-lower alkyl, or a group: --CSS--R4 ; R4 is hydrogen atom, an alkyl, or a group: --(CH2)n Y1 ; n is 0, 1 or 2, Y1 is a lower alkenyl, a phenyl-substituted lower alkenyl, an N,N-di(lower alkyl)amino, a lower alkylmercapto, a lower alkoxycarbonyl, benzoyl, naphthyl, a cycloalkyl, a monocyclic heterocyclic group, or a substituted or unsubstituted phenyl, which have excellent activities for alleviating, curing and preventing hepatic damages and are useful as a therapeutic or prophylactic agent for hepatic diseases, and processes for the preparation thereof, and a pharmaceutical composition containing the above compound as an active ingredient.

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