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1H-Benzimidazol-2-amine,1-butyl-(9CI) is a bicyclic heteroaromatic organic compound with the molecular formula C11H14N2. It is a derivative of benzimidazole and exhibits various biological activities, such as antifungal, antibacterial properties, and inhibition of the enzyme dihydroorotate dehydrogenase. This makes it a potential candidate for the development of antiviral and anticancer drugs. Furthermore, it has been studied for its potential use as a corrosion inhibitor in industrial applications, showcasing its diverse properties and potential applications in pharmaceuticals and industrial chemistry.

91337-45-0

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91337-45-0 Usage

Uses

Used in Pharmaceutical Industry:
1H-Benzimidazol-2-amine,1-butyl-(9CI) is used as a pharmaceutical candidate for its antifungal and antibacterial properties, making it suitable for the development of drugs targeting various infections.
1H-Benzimidazol-2-amine,1-butyl-(9CI) is also used as an inhibitor of the enzyme dihydroorotate dehydrogenase, which plays a crucial role in the biosynthesis of pyrimidine nucleotides. This inhibition can lead to the development of antiviral and anticancer drugs, as it can disrupt the replication and proliferation of viruses and cancer cells.
Used in Industrial Chemistry:
1H-Benzimidazol-2-amine,1-butyl-(9CI) is used as a corrosion inhibitor in industrial applications. Its ability to prevent or reduce the corrosion of metals in various environments can be beneficial in protecting equipment and infrastructure, thereby extending their lifespan and reducing maintenance costs.

Check Digit Verification of cas no

The CAS Registry Mumber 91337-45-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,3,3 and 7 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 91337-45:
(7*9)+(6*1)+(5*3)+(4*3)+(3*7)+(2*4)+(1*5)=130
130 % 10 = 0
So 91337-45-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)

91337-45-0SDS

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 1-butylbenzimidazol-2-amine

1.2 Other means of identification

Product number -
Other names 2-Amino-1-butyl-benzimidazol

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:91337-45-0 SDS

91337-45-0Relevant academic research and scientific papers

Hit-to-lead optimization of novel benzimidazole phenylacetamides as broad spectrum trypanosomacides

Avery, Vicky M.,Baell, Jonathan,McNamara, Nicole,Rahmani, Raphael,Sykes, Melissa L.

supporting information, p. 685 - 695 (2020/08/24)

Trypanosoma cruzi and Trypanosoma brucei are the parasitic causative agents of Chagas disease and human African trypanosomiasis (HAT), respectively. The drugs currently used to treat these diseases are not efficacious against all stages and/or parasite sub-species, often displaying side effects. Herein, we report the SAR exploration of a novel hit, 2-(4-chlorophenyl)-N-(1-propyl-1H-benzimidazol-2-yl)acetamide previously identified from high throughput screens against T. cruzi, Trypanosoma brucei brucei and Leishmania donovani. An informative set of analogues was synthesized incorporating key modifications of the scaffold resulting in improved potency whilst the majority of compounds retained low cytotoxicity against H9c2 and HEK293 cell lines. The SAR observed against T. cruzi broadly matches that observed against T.b. brucei, suggesting the possibility for a broad-spectrum candidate. This class of compounds therefore warrants further investigation towards development as a treatment for Chagas disease and HAT. This journal is

Synthesis and pharmacological activity of 2-(biphenyl-4-yl)imidazo[1,2-a]benzimidazoles

Spasov,Zhukovskaya,Brigadirova,Abbas,Anisimova,Sysoeva,Rashchenko,Litvinov,Mayka, O. Yu.,Babkov,Morkovnik

, p. 1905 - 1912 (2018/02/06)

An efficient method for the synthesis of novel 9H-imidazo[1,2-a]benzimidazole derivatives containing a biphenyl substituent at position 2 was developed. These compounds, belonging to the privileged substructures, have been tested for a wide range of pharmacological activities in the in vitro test panel. It was shown that the synthesized derivatives demonstrated high antioxidant activity, some of them inhibit type 1B protein tyrosine phosphatase, activate AMP-activated protein kinase, possess antiplatelet properties, and a rare and very interesting kind of activity, the ability to break cross-links of glycated proteins. The most active compounds can be suggested for further optimization.

TOLL-LIKE RECEPTOR AGONISTS

-

Page/Page column 57, (2015/02/25)

Compounds described herein can be used for therapeutic purposes. The compounds can be TLR agonists, such as TLR7 or TLR8 agonists. The compounds can be included in pharmaceutical compositions and used for therapies were being a TLR agonist is useful. The pharmaceutical compositions can include any ingredients, such as carries, diluents, excipients, fillers or the like that are common in pharmaceutical compositions. The compounds can be those illustrated or described herein as well as derivatives thereof, prodrugs thereof, salts thereof, or stereoisomers thereof, or having any chirality at any chiral center, or tautomer, polymorph, solvate, or combinations thereof. As such, the compounds can be used as adjuvants in vaccines, as well as for other therapeutic purposes described herein.

Human toll-like receptor 8-selective agonistic activities in 1-alkyl-1 h -benzimidazol-2-amines

Beesu, Mallesh,Malladi, Subbalakshmi S.,Fox, Lauren M.,Jones, Cassandra D.,Dixit, Anshuman,David, Sunil A.

, p. 7325 - 7341 (2014/12/11)

Toll-like receptor (TLR)-8 agonists strongly induce the production of T helper 1-polarizing cytokines and may therefore serve as promising candidate vaccine adjuvants, especially for the very young and the elderly. Earlier structure-based ligand design led to the identification of 3-pentyl-quinoline-2-amine as a novel, human TLR8-specific agonist. Comprehensive structure-activity relationships in ring-contracted 1-alkyl-1H-benzimidazol-2-amines were undertaken, and the best-in-class compound, 4-methyl-1-pentyl-1H-benzo[d]imidazol-2-amine, was found to be a pure TLR8 agonist, evoking strong proinflammatory cytokine and Type II interferon responses in human PBMCs, with no attendant CD69 upregulation in natural lymphocytic subsets. The 1-alkyl-1H-benzimidazol-2-amines represent a novel, alternate chemotype with pure TLR8-agonistic activities and will likely prove useful not only in understanding TLR8 signaling but also perhaps as a candidate vaccine adjuvant.

Synthesis and?QSAR studies of?novel 1-substituted-2-aminobenzimidazoles derivatives

Guida, Xuan,Jianhua, Han,Xiaomin, Li

, p. 1080 - 1083 (2007/10/03)

A series of novel 1-substituted-2-aminobenzimidazole derivatives were synthesized. The structures of the synthesized compounds were confirmed by 1H-NMR spectra and by elemental analysis. Acute toxicities of these compounds were detected on mice via toxicity (logLD50). QSAR analysis of these chemicals was studied on the relationship between acute toxicity and the octanol/water partition coefficient (LogP). The products were identified by the results of elemental analysis and 1H-NMR spectra. The toxicity (logLD50) of 2-aminobenzimidazole 1-substituents were correlated well with the partition coefficient LogP, r = 0.9243. The bioactivity (toxicity) of 2-aminobenzimidazoles can be predicted by the molecular structural parameter such as LogP.

Synthesis, Antibacterial, and Antifungal Activities of Some New Benzimidazoles

Vlaovic, Djordje,Canadanovic-Brunet, Jasna,Balaz, Jelica,Juranic, Ivan,Djokovic, Dejan,Mackenzie, Kenneth

, p. 199 - 206 (2007/10/02)

1,2-Diaminobenzimidazoles 2 were synthesized by N-amination of 2-aminobenzimidazoles 1 with hydroxylamine-O-sulphonic acid.Substituted 1-alkyl and 1-alkylarylbenzimidazoles 3 were prepared from various benzimidazoles by alkylating with the corresponding a

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