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"CHEMBRDG-BB 5873913" is a chemical compound with the molecular formula C21H23N5O3S and a molecular weight of 425.50 g/mol. It is a potent and selective inhibitor of the enzyme dihydroorotate dehydrogenase (DHODH), which plays a crucial role in the de novo pyrimidine synthesis pathway. CHEMBRDG-BB 5873913 has been studied for its potential therapeutic applications in the treatment of various diseases, including cancer and autoimmune disorders, by targeting the DHODH enzyme and disrupting the pyrimidine biosynthesis in rapidly dividing cells. The chemical structure of CHEMBRDG-BB 5873913 features a sulfonamide group, a pyrimidine moiety, and a phenyl ring, which contribute to its binding affinity and selectivity towards the DHODH enzyme.

6093-74-9

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6093-74-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6093-74-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,9 and 3 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6093-74:
(6*6)+(5*0)+(4*9)+(3*3)+(2*7)+(1*4)=99
99 % 10 = 9
So 6093-74-9 is a valid CAS Registry Number.
InChI:InChI=1/C18H20N6O/c1-22-16(25)23(2)18(14-11-7-4-8-12-14)17(22,21-15(19)24(18)20)13-9-5-3-6-10-13/h3-12H,20H2,1-2H3,(H2,19,21)

6093-74-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3-diamino-4,6-dimethyl-3a,6a-diphenylimidazo[4,5-d]imidazol-5-one

1.2 Other means of identification

Product number -
Other names 7-propoxycoumarin-3-carboxylic acid

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:6093-74-9 SDS

6093-74-9Downstream Products

6093-74-9Relevant academic research and scientific papers

Design, synthesis and biological evaluation of coumarin-based N-hydroxycinnamamide derivatives as novel histone deacetylase inhibitors with anticancer activities

Cheng, Maojun,Ding, Jiaoli,Fang, Yuanying,Guan, Zhiyu,Guo, Jie,Jin, Yi,Liu, Jing,Wan, Yang,Wang, Rikang,Xie, Sai-Sai,Zhang, Zhipeng

, (2020/07/10)

A series of novel coumarin-based N-hydroxycinnamamide derivatives were designed and synthesized as histone deacetylase (HDAC) inhibitors. Most of the synthesized compounds showed potent HDAC inhibitory activity and significant antiproliferative activity a

Rational design, synthesis and biological evaluation of novel multitargeting anti-AD iron chelators with potent MAO-B inhibitory and antioxidant activity

Bai, Renren,Gu, Jinping,Guo, Jianan,Jiang, Xiaoying,Lv, Yangjing,Mi, Zhisheng,Shi, Yuan,Xie, Yuanyuan,Yao, Chuansheng,Zhang, Changjun,Zhou, Tao

, (2020/05/22)

A series of (3-hydroxypyridin-4-one)-coumarin hybrids were developed and investigated as potential multitargeting candidates for the treatment of Alzheimer's disease (AD) through the incorporation of iron-chelating and monoamine oxidase B (MAO-B) inhibition. This combination endowed the hybrids with good capacity to inhibit MAO-B as well as excellent iron-chelating effects. The pFe3+ values of the compounds were ranging from 16.91 to 20.16, comparable to more potent than the reference drug deferiprone (DFP). Among them, compound 18d exhibited the most promising activity against MAO-B, with an IC50 value of 87.9 nM. Moreover, compound 18d exerted favorable antioxidant activity, significantly reversed the amyloid-β1-42 (Aβ1-42) induced PC12 cell damage. More importantly, 18d remarkably ameliorated the cognitive dysfunction in a scopolamine-induced mice AD model. In brief, a series of hybrids with potential anti-AD effect were successfully obtained, indicating that the design of iron chelators with MAO-B inhibitory and antioxidant activities is an attractive strategy against AD progression.

Coumarin hybrid pyridinone amide derivative with potential anti-AD activity and preparation method and application of derivative

-

Paragraph 0270; 0274-0276, (2020/02/27)

The invention discloses a coumarin hybrid pyridinone amide derivative and a preparation method and application thereof. The coumarin hybrid pyridinone amide derivative and pharmacologically acceptablesalt thereof are shown in the formula (I) and the formula (II), and the derivative can be used for preparing drugs for resisting the Alzheimer's disease, the Parkinson's disease or treating other diseases or symptoms by suppressing monoamine oxidase, chelating metallic iron ions, resisting A and resisting oxidation.

Design, synthesis and biological evaluation of novel coumarin-based benzamides as potent histone deacetylase inhibitors and anticancer agents

Abdizadeh, Tooba,Kalani, Mohammad Reza,Abnous, Khalil,Tayarani-Najaran, Zahra,Khashyarmanesh, Bibi Zahra,Abdizadeh, Rahman,Ghodsi, Razieh,Hadizadeh, Farzin

, p. 42 - 62 (2017/03/24)

Histone deacetylases (HDACs) are attractive therapeutic targets for the treatment of cancer and other diseases. It has four classes (I-IV), among them especially class I isozyme are involved in promoting tumor cells proliferation, angiogenesis, differentiation, invasion and metastasis and also viable targets for cancer therapeutics. A novel series of coumarin-based benzamides was designed and synthesized as HDAC inhibitors. The cytotoxic activity of the synthesized compounds (8a-u) was evaluated against six human cancer cell lines including HCT116, A2780, MCF7, PC3, HL60 and A549 and a single normal cell line (Huvec). We evaluated their inhibitory activities against pan HDAC and HDAC1 isoform. Four compounds (8f, 8q, 8r and 8u) showed significant cytotoxicity with IC50 in the range of 0.53–57.59?μM on cancer cells and potent pan-HDAC inhibitory activity (consists of HDAC isoenzymes) (IC50?=?0.80–14.81?μM) and HDAC1 inhibitory activity (IC50?=?0.47–0.87?μM and also, had no effect on Huvec (human normal cell line) viability (IC50?>?100?μM). Among them, 8u displayed a higher potency for HDAC1 inhibition with IC50 value of 0.47?±?0.02?μM near equal to the reference drug Entinostat (IC50?=?0.41?±?0.06?μM). Molecular docking studies and Molecular dynamics simulation of compound 8a displayed possible mode of interaction between this compound and HDAC1enzyme.

Synthesis and anticholinesterase activity of coumarin-3-carboxamides bearing tryptamine moiety

Ghanei-Nasab, Samaneh,Khoobi, Mehdi,Hadizadeh, Farzin,Marjani, Azam,Moradi, Alireza,Nadri, Hamid,Emami, Saeed,Foroumadi, Alireza,Shafiee, Abbas

, p. 40 - 46 (2016/08/18)

A number of N-(2-(1H-indol-3-yl)ethyl)-2-oxo-2H-chromene-3-carboxamides were synthesized and tested against AChE and BuChE. The in?vitro assessment of the synthesized compounds 4a-o revealed that most of them had significant activity toward AChE. The SAR study demonstrated that the introduction of benzyloxy moiety on the 7-position of coumarin scaffold can improve the anti-AChE activity. The best result was obtained with 7-(4-fluorobenzyl)oxy moiety in the case of compound 4o, displaying IC50value of 0.16?μM. Based on the docking study of AChE, the prototype compound 4o was laid across the active site and occupied both peripheral anionic site (PAS) and catalytic anionic site (CAS).

Mesomorphic Heterocyclic Homologous Series: Cholesteryl Esters of 7-n-Alkoxycoumarin-3-carboxylic Acids and Ethyl Esters of 7-(p-n-Alkoxybenzoyloxy)coumarin-3-carboxylic Acids

Thaker, N. N.,Trivedi, K. N.

, p. 560 - 563 (2007/10/02)

Two homologous series of mesomorphic esters containing coumarin nucleus have been synthesized and mesomorphic behaviour of their members studied.In series Ia (cholesteryl esters of 7-n-alkoxycoumarin-3-carboxylic acids), all the members exhibit enantiotropic cholesteric mesomorphism.The smectic phase commences from the hexyl derivative as a monotropic phase, octyl to hexadecyl derivatives are enantiotropic smectic.In series II , first five members are non-mesomorphic.Both smectic and nematic phases appear as monotropic phases from hexyl to octyl derivatives.The nonyl to dodecyl derivatives show monotropic smectic phase only.The last three members are enantiotropic smectic.Plots of transition temperatures against the number of carbon atoms in alkyl chain in series Ia behave in a normal manner whereas similar plots show an ascending tendency in series II.In series II, the smectic-nematic curve merges with the odd number curve of the nematic-isotropic transitions at the nonyl derivative.

MESOMORPHIC HETEROCYCLIC HOMOLOGOUS SERIES: I. 7-(4 prime -n-ALKOXYBENZOYLOXY)-3-ACETYLCOUMARINS II. 4 prime -FORMYLPHENYL 7-n-ALKOXYCOUMARIN-3-CARBOXYLATES.

Trivedi,Thaker

, p. 263 - 270 (2007/10/02)

Two homologous series of coumarin derivatives have been synthesized and mesomorphic behavior of their members has been studied. In case of Series I, mesomorphism does not begin to appear until the butyl homolog, which is monotropic nematic. The remaining

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