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5-AMINO-1-(4-BROMOPHENYL)-3-METHYL-4-CYANO 1H-PYRAZOLE is a pyrazole derivative with the molecular formula C10H8BrN5. It features a 4-bromophenyl group and a methyl and cyano group attached to the pyrazole ring. This chemical compound holds potential in the field of medicinal chemistry, particularly for the development of pharmaceutical drugs. The cyano group indicates possible biological activity, and its unique structural features make it a promising candidate for further exploration in drug discovery and development.

76982-35-9

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76982-35-9 Usage

Uses

Used in Medicinal Chemistry:
5-AMINO-1-(4-BROMOPHENYL)-3-METHYL-4-CYANO 1H-PYRAZOLE is used as a chemical intermediate for the synthesis of pharmaceutical drugs. Its structural components, including the 4-bromophenyl group and the cyano group, contribute to its potential biological activity, making it a valuable compound in the development of new medications.
Used in Drug Discovery and Development:
In the pharmaceutical industry, 5-AMINO-1-(4-BROMOPHENYL)-3-METHYL-4-CYANO 1H-PYRAZOLE is utilized as a starting material for the design and synthesis of novel drug candidates. Its unique structure allows for the exploration of various chemical modifications, which can lead to the discovery of new therapeutic agents with improved efficacy and selectivity.

Check Digit Verification of cas no

The CAS Registry Mumber 76982-35-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,9,8 and 2 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 76982-35:
(7*7)+(6*6)+(5*9)+(4*8)+(3*2)+(2*3)+(1*5)=179
179 % 10 = 9
So 76982-35-9 is a valid CAS Registry Number.

76982-35-9SDS

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 5-amino-1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-amino-1-(4-bromophenyl)-3-methyl-1H-pyrazole-4-carbonitrile

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:76982-35-9 SDS

76982-35-9Downstream Products

76982-35-9Relevant academic research and scientific papers

Novel pyrazolo[3,4-d]pyrimidine derivatives inhibit human cancer cell proliferation and induce apoptosis by ROS generation

Gaonkar, Supreet,Garbhagudi, Manjunatha,Khazi, Imtiyaz Ahmed M.,Mantur, Shivaraj,Mulla, Sikandar I.,Nadaf, AfraQuasar A.,Najare, Mahesh S.,Savanur, Mohammed Azharuddin

, (2020/02/27)

The paucity of effective anticancer drugs for successful treatment is a major concern, indicating the strong need for novel therapeutic compounds. In the quest of new molecules, the present study aimed to explore the potential of pyrazolo[3,4-d]pyrimidine derivatives as antiproliferative agents. In vitro anticancer screening of selected compounds was done by the National Cancer Institute's Developmental Therapeutics Programme against a panel of 60 cancer cell lines. The lead compound PP-31d considerably inhibited the growth of cancer cells, such as NCI-H460 (non-small-cell lung cancer), OVCAR-4 (ovarian cancer), 786-0 (renal cancer), A549 (non-small-cell lung cancer), and ACHN (renal cancer), showing strong anticancer potential, among other derivatives. Kinetic studies of PP-31d on NCI-H460 cells revealed a dose-dependent effect with an IC50 of 2 μM. The observed inhibition by PP-31d is attributed to the generation of reactive oxygen species and the subsequent induction of cellular apoptosis, as evidenced by the increase in the hypodiploid (subG1) population, the early apoptotic cell population, and caspase-3/7 activity, the loss of the mitochondrial membrane potential, and the degradation of nuclear DNA. Collectively, our results demonstrated that pyrazolo[3,4-d]pyrimidine derivatives inhibit cancer cell proliferation by inducing apoptosis and, thus, have the potential to be further explored for anticancer properties.

Pyrazolyl-tetrazoles and imidazolyl-pyrazoles as potential anticoagulants and their integrated multiplex analysis virtual screening

Louren?o, André L.P.G.,Vegi, Percilene F.,Faria, Jéssica V.,Pinto, Gustavo S.P.,Dos Santos, Maurício S.,Sathler, Plínio C.,Saito, Max S.,Santana, Marcos,Dutra, Tatiana P.P.,Rodrigues, Carlos R.,Monteiro, Robson Q.,Bernardino, Alice M.R.,Castro, Helena C.

, p. 33 - 47 (2018/12/13)

This article reports a novel virtual screening algorithm seeking the rational identification of novel lead anticoagulants. Seven 5-(3-methyl-1-aryl-1H-pyrazol-4-yl)-1H-tetrazoles and seven novel 1-aryl-4-(4,5-dihydro-1H-imidazol-2-yl)-3-methyl-1H-pyrazole

Design and synthesis of pyrazolo[3,4-d]pyrimidines: Nitric oxide releasing compounds targeting hepatocellular carcinoma

Elshaier, Yaseen A.M.M.,Shaaban, Mohamed A.,Abd El Hamid, Mohammed K.,Abdelrahman, Mostafa H.,Abou-Salim, Mahrous A.,Elgazwi, Sara M.,Halaweish, Fathi

, p. 2956 - 2970 (2017/05/24)

A new series of pyrazolo[3,4-d]pyrimidines tethered with nitric oxide (NO) producing functionality was designed and synthesized. Sulforhodamine B (SRB) protein assay revealed that NO releasing moiety in the synthesized compounds significantly decreased the cell growth more than the des-NO analogues. Compounds 7C and 7G possessing N-para-substituted phenyl group, released the highest NO concentration of 4.6% and 4.7% respectively. Anti-proliferative activity of synthesized compounds on HepG2 cell line identified compounds 7h, 7p, 14a and 14b as the most cytotoxic compounds in the series of IC50?=?3, 5, 3 and 5?μM, respectively, compared to erlotinib as a reference drug (IC50?=?25?μM). Flow cytometry studies revealed that 7?h arrested the cells in G0/G1 phase of cell cycle while 7p arrested the cells in S phase. Moreover, docking study of the synthesized compounds on EGFR (PDB code: 1M17) and cytotoxicity study indicated that N-1 phenyl para substitution, pyrazole C-3 alkyl substitution and tethering the nitrate moiety through butyl group had a significant impact on the activity.

Synthesis and activity of novel tetrazole compounds and their pyrazole-4-carbonitrile precursors against Leishmania spp

Faria, Jéssica V.,Dos Santos, Maurício S.,Bernardino, Alice M.R.,Becker, Klaus M.,Machado, Gérzia M.C.,Rodrigues, Raquel F.,Canto-Cavalheiro, Marilene M.,Leon, Leonor L.

supporting information, p. 6310 - 6312 (2013/11/19)

A new series of 5-(1-aryl-3-methyl-1H-pyrazol-4-yl)-1H-tetrazole derivatives (4a-m) and their precursor 1-aryl-3-methyl-1H-pyrazole-4- carbonitriles (3a-m) were synthesized and evaluated as antileishmanials against Leishmania braziliensis and Leishmania amazonensis promastigotes in vitro. In parallel, the cytotoxicity of these compounds was evaluated on the RAW 264.7 cell line. The results showed that among the assayed compounds the substituted 3-chlorophenyl (4a) (IC50/24 h = 15 ± 0.14 μM) and 3,4-dichlorophenyl tetrazoles (4d) (IC50/24 h = 26 ± 0.09 μM) were the most potent against L. braziliensis promastigotes, as compared the reference drug pentamidine, which presented IC50 = 13 ± 0.04 μM. In addition, 4a and 4d derivatives were less cytotoxic than pentamidine. However, these tetrazole derivatives (4) and pyrazole-4- carbonitriles precursors (3) differ against each of the tested species and were more effective against L.braziliensis than on L. amazonensis.

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