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N3-(4-chlorophenyl)-2H-1,2,4-triazole-3,5-diamine, also known as cladribine, is a chemical compound belonging to the class of triazole derivatives. It is an antineoplastic and immunosuppressive agent that disrupts the growth and proliferation of cancer cells, making it a valuable pharmaceutical candidate for various applications.

16691-46-6

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16691-46-6 Usage

Uses

Used in Oncology:
N3-(4-chlorophenyl)-2H-1,2,4-triazole-3,5-diamine is used as an antineoplastic agent for the treatment of hairy cell leukemia. It works by inhibiting the growth and proliferation of cancer cells, providing a therapeutic option for patients with this condition.
Used in Autoimmune Disease Treatment:
N3-(4-chlorophenyl)-2H-1,2,4-triazole-3,5-diamine is used as an immunosuppressive agent in the treatment of autoimmune diseases. Its immunosuppressive properties help manage the immune response, reducing inflammation and alleviating symptoms associated with these conditions.
Used in Multiple Sclerosis Treatment:
N3-(4-chlorophenyl)-2H-1,2,4-triazole-3,5-diamine is used as a potential treatment for multiple sclerosis. Its immunosuppressive and anti-inflammatory effects may help slow down the progression of the disease and improve the quality of life for patients.
Used in Cancer Research:
N3-(4-chlorophenyl)-2H-1,2,4-triazole-3,5-diamine is used as a research compound in the investigation of its potential use in the treatment of other types of cancer. Its antineoplastic properties make it a promising candidate for further research and development in oncology.

Check Digit Verification of cas no

The CAS Registry Mumber 16691-46-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,6,9 and 1 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 16691-46:
(7*1)+(6*6)+(5*6)+(4*9)+(3*1)+(2*4)+(1*6)=126
126 % 10 = 6
So 16691-46-6 is a valid CAS Registry Number.

16691-46-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-N-(4-chlorophenyl)-1H-1,2,4-triazole-3,5-diamine

1.2 Other means of identification

Product number -
Other names 5-Amino-3-[(4-chlorophenyl)amino]-1H-1,2,4-triazole

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:16691-46-6 SDS

16691-46-6Relevant academic research and scientific papers

Inhibition of Copper Corrosion with N-Arylaminotriazoles in Aqueous Chloride Solutions and in Air

Kipriyanova, G. O.,Komarova, E. S.,Kozaderov, O. A.,Kruzhilin, A. A.,Potapov, A. Yu.,Prabhakar, Ch.,Shevtsov, D. S.,Shikhaliev, Kh. S.,Tripathi, A.,Zartsyn, I. D.

, p. 1152 - 1159 (2020/10/02)

Abstract: A series of 3-(N-arylamino)-5-amino-1Н-1,2,4-triazoles were prepared by the reaction of S,S-dimethyl cyanodithioimidocarbamate with appropriate anilines. The inhibiting effect of the products on the corrosion of copper of M1 grade in acidic and neutral chloride-containing media was studied using electrochemical and accelerated electroless methods. The maximal degree of protection ensured by commercially available 3,5-diamino-1H-1,2,4-triazole and the synthesized 3-phenylamino, 3-(4-methylphenylamino), 3-(4-chlorophenylamino), and 3-(3-chlorophenylamino) derivatives of 5-amino-1Н-1,2,4-triazole reaches 70–87%. In acid solutions, the synthesized compounds show higher performance than the 3,5-diamino derivative, ensuring up to 92–96% protection. Similar results were obtained in experiments in a salt fog chamber.

A one-pot, three-component, microwave-promoted synthesis of 2-amino-substituted 7-amino-1,2,4-triazolo[1,5-a][1,3,5]triazines

Kalinina, Svetlana A.,Kalinin, Dmitrii V.,Dolzhenko, Anton V.

, p. 5537 - 5540 (2013/09/23)

A new, efficient, catalyst-free, one-pot, three-component method for the synthesis of 2-amino-substituted 7-amino-1,2,4-triazolo[1,5-a][1,3,5]triazines using 3,5-diamino-1,2,4-triazoles, cyanamide, and triethyl orthoformate is developed. The reaction proceeds smoothly under microwave-assisted heating. Advantages of the method include using easily available reagents, short reaction times, and operational simplicity.

A comparative study of fragment screening methods on the p38α kinase: New methods, new insights

Pollack, Scott J.,Beyer, Kim S.,Lock, Christopher,Mueller, Ilka,Sheppard, David,Lipkin, Mike,Hardick, David,Blurton, Peter,Leonard, Philip M.,Hubbard, Paul A.,Todd, Daniel,Richardson, Christine M.,Ahrens, Thomas,Baader, Manuel,Hafenbradl, Doris O.,Hilyard, Kate,Buerli, Roland W.

, p. 677 - 687 (2012/07/16)

The stress-activated kinase p38α was used to evaluate a fragment-based drug discovery approach using the BioFocus fragment library. Compounds were screened by surface plasmon resonance (SPR) on a Biacore T100 against p38α and two selectivity targets. A sub-set of our library was the focus of detailed follow-up analyses that included hit confirmation, affinity determination on 24 confirmed, selective hits and competition assays of these hits with respect to a known ATP binding site inhibitor. In addition, functional activity against p38α was assessed in a biochemical assay using a mobility shift platform (LC3000, Caliper LifeSciences). A selection of fragments was also evaluated using fluorescence lifetime (FLEXYTE) and microscale thermophoresis (Nanotemper) technologies. A good correlation between the data for the different assays was found. Crystal structures were solved for four of the small molecules complexed to p38α. Interestingly, as determined both by X-ray analysis and SPR competition experiments, three of the complexes involved the fragment at the ATP binding site, while the fourth compound bound in a distal site that may offer potential as a novel drug target site. A first round of optimization around the remotely bound fragment has led to the identification of a series of triazole-containing compounds. This approach could form the basis for developing novel and active p38α inhibitors. More broadly, it illustrates the power of combining a range of biophysical and biochemical techniques to the discovery of fragments that facilitate the development of novel modulators of kinase and other drug targets.

Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore

Marino Jr., Joseph P.,Fisher, Paul W.,Hofmann, Glenn A.,Kirkpatrick, Robert B.,Janson, Cheryl A.,Johnson, Randall K.,Ma, Chun,Mattern, Michael,Meek, Thomas D.,Ryan, M. Dominic,Schulz, Christina,Smith, Ward W.,Tew, David G.,Tomazek Jr., Thaddeus A.,Veber, Daniel F.,Xiong, Wenfang C.,Yamamoto, Yuuichi,Yamashita, Keizo,Yang, Guang,Thompson, Scott K.

, p. 3777 - 3785 (2008/02/11)

High-throughput screening for inhibitors of the human metalloprotease, methionine aminopeptidase-2 (MetAP2), identified a potent class of 3-anilino-5-benzylthio-1,2,4-triazole compounds. Efficient array and interative synthesis of triazoles led to rapid SAR development around the aniline, benzylthio, and triazole moeities. Evaluation of these analogs in a human MetAP2 enzyme assay led to the identification of several inhibitors with potencies in the 50-100 picomolar range. The deleterious effects on inhibitor potency by methylation of the anilino-triazole nitrogens, as well as the X-ray crystal structure of triazole 102 bound in the active site of MetAP2, confirm the key interactions between the triazole nitrogens, the active site cobalt atoms, and the His-231 side-chain. The structure has also provided a rationale for interpreting SAR within the triazole series. Key aniline (2-isopropylphenyl) and sulfur substituents (furanylmethyl) identified in the SAR studies led to the identification of potent inhibitors (103 and 104) of endothelial cell proliferation. Triazoles 103 and 104 also exhibited dose-dependent activity in an aortic ring tissue model of angiogenesis highlighting the potential utility of MetAP2 inhibitors as anticancer agents.

1-(N-arylthiocarbamoyl)amidino-3,5-dimethyl pyrazoles - Preparation and use in heterocycle synthesis

Jenardanan,Francis,Deepa,Rajasekharan

, p. 3457 - 3462 (2007/10/03)

On reaction with α-haloketones or hydrazine, 1-(N-arylthiocarbamoyl)amidino-3,5-dimethylpyrazoles (1) afford 2,4-diaminothiazoles and 3,5-diamino-1,2,4-triazoles in good yield. A convenient route to 1 is also reported.

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