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3-Thien-3-ylaniline, with the molecular formula C10H9NS, is an aniline derivative characterized by the attachment of a thienyl group to the amine nitrogen atom. This unique structure endows it with a range of chemical and biological properties, making it a versatile compound for various applications in different industries.

161886-96-0

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161886-96-0 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-Thien-3-ylaniline is utilized as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique chemical structure allows for the development of new drugs and pesticides with improved efficacy and selectivity.
Used in Organic Material Preparation:
3-THIEN-3-YLANILINE serves as a building block for the preparation of organic materials, such as polymers and dyes. Its incorporation into these materials can enhance their properties, such as stability, solubility, and color intensity.
Used in Organic Electronics:
3-Thien-3-ylaniline has found applications in the field of organic electronics, where it is used in the development of organic semiconductors, organic light-emitting diodes (OLEDs), and organic solar cells. Its electronic properties, such as charge transport and energy levels, make it a promising candidate for these applications.
Used in Antimicrobial Applications:
3-Thien-3-ylaniline has been studied for its potential antimicrobial properties. It can be used as an antimicrobial agent in various applications, such as in the development of new antibiotics or as a preservative in food and cosmetic products.
Used in Anti-inflammatory Applications:
3-THIEN-3-YLANILINE has also demonstrated anti-inflammatory properties, making it a potential candidate for the development of new anti-inflammatory drugs. It can be used to treat various inflammatory conditions, such as arthritis, asthma, and dermatitis.

Check Digit Verification of cas no

The CAS Registry Mumber 161886-96-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,1,8,8 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 161886-96:
(8*1)+(7*6)+(6*1)+(5*8)+(4*8)+(3*6)+(2*9)+(1*6)=170
170 % 10 = 0
So 161886-96-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H,11H2

161886-96-0SDS

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 3-thiophen-3-ylaniline

1.2 Other means of identification

Product number -
Other names 3-Thiophen-3-yl-phenylamine

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:161886-96-0 SDS

161886-96-0Relevant academic research and scientific papers

Diarylureas Containing 5-Membered Heterocycles as CB1 Receptor Allosteric Modulators: Design, Synthesis, and Pharmacological Evaluation

Nguyen, Thuy,Gamage, Thomas F.,Decker, Ann M.,German, Nadezhda,Langston, Tiffany L.,Farquhar, Charlotte E.,Kenakin, Terry P.,Wiley, Jenny L.,Thomas, Brian F.,Zhang, Yanan

, p. 518 - 527 (2018/10/02)

Allosteric modulators have attracted significant interest as an alternate strategy to modulate CB1 receptor signaling for therapeutic benefits that may avoid the adverse effects associated with orthosteric ligands. Here we extended our previous structure-activity relationship studies on the diarylurea-based CB1 negative allosteric modulators (NAMs) by introducing five-membered heterocycles to replace the 5-pyrrolidinylpyridinyl group in PSNCBAM-1 (1), one of the first generation CB1 allosteric modulators. Many of these compounds had comparable potency to 1 in blocking the CB1 agonist CP55,940 stimulated calcium mobilization and [35S]GTP-γ-S binding. Similar to 1, most compounds showed positive cooperativity by increasing [3H]CP55,940 binding, consistent with the positive allosteric modulator (PAM)-antagonist mechanism. Interestingly, these compounds exhibited differences in ability to increase specific binding of [3H]CP55,940 and decrease binding of the antagonist [3H]SR141716. In saturation binding studies, only increases in [3H]CP55,940 Bmax, but not Kd, were observed, suggesting that these compounds stabilize low affinity receptors into a high affinity state. Among the series, the 2-pyrrolyl analogue (13) exhibited greater potency than 1 in the [35S]GTP-γ-S binding assay and significantly enhanced the maximum binding level in the [3H]CP5,5940 binding assay, indicating greater CB1 receptor affinity and/or cooperativity.

DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS

-

Paragraph 69; 72; 110, (2018/12/02)

The present invention provides novel diarylurea derivatives (compounds of formula (I)) and their uses. The compounds of the present invention are demonstrated to be allosteric modulators of the CB1 receptor, and therefore useful for the treatment of diseases and conditions mediated by CB1.

Design, synthesis and biological evaluation of N-arylphenyl-2,2- dichloroacetamide analogues as anti-cancer agents

Li, Tianwen,Yang, Yongchong,Cheng, Changmei,Tiwari, Amit K.,Sodani, Kamlesh,Zhao, Yufen,Abraham, Ioana,Chen, Zhe-Sheng

supporting information, p. 7268 - 7271 (2013/01/15)

Our earlier research has shown that N-phenyl-2,2-dichloroacetamide analogues had much higher anti-cancer activity than the lead compound sodium dichloroacetate (DCA). In this current study, a variety of N-arylphenyl-2,2- dichloroacetamide analogues were synthesized via Suzuki coupling reaction and their anti-cancer activity was evaluated. The results showed that N-terphenyl-2,2-dichloroacetamide analogues had satisfactory anti-cancer activity. Among them, N-(3,5-bis(benzo[d][1,3]dioxol-5-yl)phenyl)-2,2- dichloroacetamide (6 k) had an IC50 of 2.40 μM against KB-3-1 cells, 1.04 μM against H460 cells and 1.73 μM against A549 cells.

Structural modifications of salicylates: Inhibitors of human CD81-receptor HCV-E2 interaction

Holzer, Marcel,Ziegler, Sigrid,Neugebauer, Alexander,Kronenberger, Bernd,Klein, Christian D.,Hartmann, Rolf W.

experimental part, p. 478 - 484 (2009/04/04)

Starting point of the present paper was the result of a virtual screening using the open conformation of the large extracellular loop (LEL) of the CD81-receptor (crystal structure: PDB-ID: 1G8Q). After benzyl salicylate had been experimentally validated to be a moderate inhibitor of the CD81-LEL-HCV-E2 interaction, further optimization was performed and heterocyclic-substituted benzyl salicylate derivatives were synthesized. The compounds were tested for their ability to inhibit the interaction of a fluorescence-labeled antibody to CD81-LEL using HUH7.5 cells. No compound showed an increase concerning the inhibition of the protein-protein interaction compared to benzyl salicylate.

Method for treating neoplasia with amino or pyridylamino cyclobutene derivatives

-

, (2008/06/13)

A method for inhibiting neoplasia, particularly cancerous and precancerous lesions by exposing the affected cells to amino or pyridylamino cyclobutane derivatives.

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