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1,3,4-Thiadiazol-2-amine, 5-[(3-fluorophenyl)methyl]- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

39181-54-9

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39181-54-9 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 9 carbon (C), 8 hydrogen (H), 1 fluorine (F), 3 nitrogen (N), and 1 sulfur (S) atoms.

Explanation

The compound belongs to the thiadiazole family, which is a group of heterocyclic compounds containing a thiadiazole ring structure.

Explanation

The thiadiazole ring is a five-membered ring with three heteroatoms, including one sulfur (S) and two nitrogen (N) atoms.

Explanation

The compound contains an amine group (-NH2), which is a basic functional group consisting of a nitrogen atom bonded to two hydrogen atoms.

Explanation

The compound has a 3-fluorophenylmethyl substituent, which is a phenyl group (a six-membered aromatic ring) with a fluorine atom at the 3rd position and a methyl group (-CH3) attached to the ring.

Explanation

Due to its unique structure and reactivity, the compound may possess pharmacological properties of interest, making it a potential candidate for research in medicinal chemistry and drug discovery.

Explanation

The compound's structure and reactivity make it a valuable building block for the synthesis of a variety of organic compounds, which could be used in the development of new drugs or materials.

Explanation

The compound's potential biological activities and therapeutic uses are of interest for research, as it may lead to the discovery of new treatments or applications in the medical field.

Family

Thiadiazole

Ring Structure

Thiadiazole

Functional Group

Amine

Substituent

3-Fluorophenylmethyl

Potential Applications

Medicinal Chemistry and Drug Discovery

Building Block

Organic Synthesis

Research Focus

Biological Activities and Therapeutic Uses

Check Digit Verification of cas no

The CAS Registry Mumber 39181-54-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,9,1,8 and 1 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 39181-54:
(7*3)+(6*9)+(5*1)+(4*8)+(3*1)+(2*5)+(1*4)=129
129 % 10 = 9
So 39181-54-9 is a valid CAS Registry Number.

39181-54-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine

1.2 Other means of identification

Product number -
Other names 5-(3-fluoro-benzyl)-[1,3,4]thiadiazol-2-ylamine

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:39181-54-9 SDS

39181-54-9Downstream Products

39181-54-9Relevant academic research and scientific papers

MrgprX2 ANTAGONISTS AND USES THEREOF

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Paragraph 00114-00116, (2021/05/15)

The present disclosure is directed to use of MrgprX2 antagonists in the treatment of inflammatory disorders, e.g., inflammatory disorders of the skin. This invention is also directed to pharmaceutical compositions comprising a MrgprX2 antagonist and a pha

COMPOUNDS AND USES THEREOF

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Page/Page column 331, (2020/10/20)

The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

Synthesis of (1,3,4-thiadiazol-2-yl)-acrylamide derivatives as potential antitumor agents against acute leukemia cells

An, Ran,Guo, Chun,Li, Qing,Li, Yan,Wang, Renxiao,Xu, Yaochun,Zhou, Mi

supporting information, (2020/03/25)

A lead compound with the (1,3,4-thiadiazol-2-yl)-acrylamide scaffold was discovered to have significant cytotoxicity on several tumor cell lines in an in-house cell-based screening. A total of 60 derivative compounds were then synthesized and tested in a CCK-8 cell viability assay. Some of them exhibited improved cytotoxic activities. The most potent compounds had IC50 values of 1–5 μM on two acute leukemia tumor cell lines, i.e. RS4;11 and HL-60. Flow cytometry analysis of several active compounds and detection of caspase activation indicated that they induced caspase-dependent apoptosis. It was also encouraging to observe that these compounds did not have obvious cytotoxicity on normal cells, i.e. IC50 > 50 μM on HEK-293T cells. Although the molecular targets of this class of compound are yet to be revealed, our current results suggest that this class of compound represents a new possibility for developing drug candidates against acute leukemia.

COMPOUNDS AND USES THEREOF

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Page/Page column 324, (2019/10/15)

The present invention features compounds useful in the treatment of neurological disorders. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders.

Novel Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives: Synthesis, Characterization, Molecular Docking Study, and Investigation of Their In Vitro Antifungal Activities

Er, Mustafa,Tahtaci, Hakan,Karakurt, Tuncay,Onaran, Abdurrahman

, p. 2555 - 2570 (2019/08/21)

In this study, a new series of substituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized. To this end, first 2-amino-1,3,4-thiadiazole derivatives (compounds 2a and 2b), the starting materials, were synthesized with high yields (82% and 79%, respectively). Then imidazo[2,1-b][1,3,4]thiadiazole derivatives (4–16), the target compounds, were synthesized from reactions of 2-amino-1,3,4-thiadiazole derivatives (2a and 2b) with 2-bromoacetophenone derivatives (3a–3i) (in yields of 52% to 71%). All of the synthesized compounds were characterized by 1H NMR, 13C NMR, Fourier transform infrared, elemental analysis, mass spectroscopy, and X-ray diffraction analysis (compounds 4–12, 14, and 15) techniques. In vitro antifungal activity tests were performed for all of the synthesized compounds. Inhibition zones, percentage of inhibition, minimum fungicidal activity, minimum inhibitory concentration, and lethal dose values of the target compounds were determined against some plant pathogens. According to the results of the biological activity tests, all of the synthesized compounds showed moderate to high levels of antifungal activity. Theoretical calculations were performed to support the experimental results. The geometric parameters of selected compounds (5, 6, and 8) were optimized using the density functional theory B3LYP/6-31G(d) method in the Gaussian 09W package program, and the frontier molecular orbitals (highest occupied molecular orbital–lowest unoccupied molecular orbital) were calculated theoretically. Finally, molecular docking studies were performed for antifungal activity studies of the selected compounds and to determine whether or not these compounds could be inhibitor agents for the 2RKV protein structure.

2-Amino-5-(substituted or unsubstituted phenylalkyl)-thiadiazoles

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, (2008/06/13)

2-amino-5-(substituted or unsubstituted phenylalkyl)-thiadiazoles, e.g., 2-amino-5-(4-[phenylbutyl])-thiadiazole, prepared, e.g., by ring closure, of corresponding 1-(substituted or unsubstituted phenylalkanoyl)-thiosemicarbazide in a strong acid medium.

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