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6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene, commonly referred to as tetrahydrobenzothiophene, is a heterocyclic compound characterized by its molecular formula C9H9NS. This colorless liquid possesses a very strong odor and is recognized for its diverse applications across various industries due to its unique chemical properties.

58980-39-5

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58980-39-5 Usage

Uses

Used in Pesticide Industry:
6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene is used as an active ingredient in pesticides for its ability to control and manage pests effectively in agricultural settings. Its chemical structure contributes to its pesticidal properties, making it a valuable component in this industry.
Used in Synthetic Fiber Production:
In the synthetic fiber industry, 6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene serves as a crucial intermediate in the manufacturing process. Its chemical properties allow it to be incorporated into the production of various types of synthetic fibers, enhancing their characteristics and performance.
Used in Rubber Industry:
6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene is utilized in the rubber industry as a component in the formulation of rubber products. Its inclusion can improve the rubber's properties, such as durability and flexibility, making it suitable for a wide range of applications.
Used in Plastics Industry:
6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene is also used in the plastics industry, where it contributes to the development of various types of plastics. Its role as an intermediate helps in creating plastics with specific properties tailored to different uses.
Used as a Solvent:
6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene functions as a solvent in various chemical processes due to its ability to dissolve other substances. Its solvent properties make it useful in a range of applications, from industrial processes to specific laboratory techniques.
Used as a Pharmaceutical Intermediate:
In the pharmaceutical industry, 6,7,8,9-Tetrahydro-5-thia-8-aza-benzocycloheptene is employed as an intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs and medications.

Check Digit Verification of cas no

The CAS Registry Mumber 58980-39-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,9,8 and 0 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 58980-39:
(7*5)+(6*8)+(5*9)+(4*8)+(3*0)+(2*3)+(1*9)=175
175 % 10 = 5
So 58980-39-5 is a valid CAS Registry Number.

58980-39-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,4,5-Tetrahydrobenzo[f][1,4]thiazepine

1.2 Other means of identification

Product number -
Other names 2,3,4,5-tetrahydro-1,4-benzothiazepine

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:58980-39-5 SDS

58980-39-5Relevant academic research and scientific papers

HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF

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Paragraph 0048; 0052, (2021/02/25)

The present invention relates to a histone acetyltransferase (HAT) inhibitor. Provided are a compound represented by general formula I, a pharmaceutically acceptable salt, a stereoisomer, an enantiomer, a diastereomer, an atropisomer, a racemate, a polymorph, a solvate or an isotope-labeled compound (including deuterium substitution) thereof, a preparation method therefor, a pharmaceutical composition comprising the same, and use thereof in the treatment of various HAT-related diseases or conditions.

Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors

Zheng, Xiufang,Liang, Chungen,Wang, Lisha,Wang, Baoxia,Liu, Yongfu,Feng, Song,Wu, Jim Zhen,Gao, Lu,Feng, Lichun,Chen, Li,Guo, Tao,Shen, Hong C.,Yun, Hongying

, p. 10228 - 10241 (2018/11/23)

A novel benzoazepinequnoline (BAQ) series was discovered as RSV fusion inhibitors. BAQ series originated from compound 2, a hit from similarity-based virtual screening. In SAR exploration, benzoazepine allowed modifications in the head moiety. Benzylic sulfonyl on benzoazepine and 6-Me on quinoline were crucial for good anti-RSV activity. Although the basic amine in the head portion was crucial for anti-RSV activity, the attenuated basicity was required to reduce Vss. Introducing oxetane to the head portion led to discovery of compound 1, which demonstrated single-digit nM anti-RSV activity against different RSV strains, reasonable oral exposure in plasma, and 78-fold higher exposure in lung. Compound 1 also displayed 1 log viral reduction in a female BALB/c mice RSV model by b.i.d. oral dosing at 12.5 mg/kg. A single resistant mutant at L138F in fusion protein proved compound 1 to be a RSV fusion inhibitor.

COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE

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Paragraph 0106; 0107, (2013/04/13)

The invention relates to the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R2 and X are as defined in the description and claims, which are useful for the treatment or prophylaxis of RSV infection.

COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE

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Page/Page column 16, (2013/04/25)

A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1, R2 and X are as defined in description and in claims, can be used as a medicament.

Effect of ring size or an additional heteroatom on the potency and selectivity of bicyclic benzylamine-type inhibitors of phenylethanolamine N- methyltransferase

Grunewald, Gary L.,Dahanukar, Vilas H.,Ching, Piao,Criscione, Kevin R.

, p. 3539 - 3546 (2007/10/03)

In the search for potent and selective inhibitors of the enzyme phenylethanolamine N-methyltransferase (PNMT; EC 2.1.1.28), we examined the effect of ring size or an additional heteroatom in the conformationally- restricted benzylamine-type PNMT inhibitors. Based on semiempirical calculations (MNDO) and molecular modeling studies, PNMT-inhibitory activity of these compounds seemed to be dependent on (a) the torsion angle between the plane of the aromatic ring and the endo N atom lone pair (τ2 angle), with the optimal value of τ2 being about -75°, and (b) the amount of steric bulk about the 3-position of 1,2,3,4-tetrahydroisoquinoline (5, THIQ). 2,3,4,5-Tetrahydro-1H-2-benzazepine (6) was found to have the highest selectivity (PNMT K(i) = 3.34 μM, α2 K(i) = 11 μM, selectivity = 3.2) as compared to other homologues of THIQ (PNMT K(i) = 9.67 μM, α2 K(i) = 0.35 μM, selectivity = 0.036). The higher PNMT-inhibitory activity of 6 was attributed to favorable steric interactions of the puckered methylene groups in the putative bioactive conformation of 6 at the PNMT active site, whereas unfavorable interactions of these puckered methylene groups at the α2- adrenoceptor were thought to be the cause of reduced α2 affinity of 6. No further enhancement of the selectivity of the benzazepine ring system could be obtained via introduction of a second heteroatom (N, O, S) at the 5- position in this ring system.

Therapeutic 1,4-thiazepines

-

, (2008/06/13)

Compounds of formula I STR1 in which n=0, 1 or 2; R1, R2, R6 and R7 independently represent H or alkyl (optionally substituted by one or more halo); R3 and R4 independently represent H or a

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