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2-bromo-5-carbomethoxybenzenesulfonyl chloride is a complex organic chemical compound with the molecular formula C8H6BrClO5S. It is a derivative of benzene, featuring a bromine atom at the 2nd position, a carboxymethyl group (-COOCH3) at the 5th position, and a sulfonyl chloride group (-SO2Cl) attached to the benzene ring. 2-bromo-5-carbomethoxybenzenesulfonyl chloride is known for its reactivity and is often used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its structure allows it to participate in a range of chemical reactions, such as nucleophilic substitutions and eliminations, making it a valuable building block in organic synthesis. Due to its reactivity, it is typically handled with care in a laboratory setting.

168969-13-9

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168969-13-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 168969-13-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,8,9,6 and 9 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 168969-13:
(8*1)+(7*6)+(6*8)+(5*9)+(4*6)+(3*9)+(2*1)+(1*3)=199
199 % 10 = 9
So 168969-13-9 is a valid CAS Registry Number.

168969-13-9Relevant academic research and scientific papers

Discovery of Selective Inhibitors of Endoplasmic Reticulum Aminopeptidase 1

Maben, Zachary,Arya, Richa,Rane, Digamber,An, W. Frank,Metkar, Shailesh,Hickey, Marc,Bender, Samantha,Ali, Akbar,Nguyen, Tina T.,Evnouchidou, Irini,Schilling, Roger,Stratikos, Efstratios,Golden, Jennifer,Stern, Lawrence J.

, p. 103 - 121 (2020)

ERAP1 is an endoplasmic reticulum-resident zinc aminopeptidase that plays an important role in the immune system by trimming peptides for loading onto major histocompatibility complex proteins. Here, we report discovery of the first inhibitors selective for ERAP1 over its paralogues ERAP2 and IRAP. Compound 1 (N-(N-(2-(1H-indol-3-yl)ethyl)carbamimidoyl)-2,5-difluorobenzenesulfonamide) and compound 2 (1-(1-(4-acetylpiperazine-1-carbonyl)cyclohexyl)-3-(p-tolyl)urea) are competitive inhibitors of ERAP1 aminopeptidase activity. Compound 3 (4-methoxy-3-(N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)sulfamoyl)benzoic acid) allosterically activates ERAP1's hydrolysis of fluorogenic and chromogenic amino acid substrates but competitively inhibits its activity toward a nonamer peptide representative of physiological substrates. Compounds 2 and 3 inhibit antigen presentation in a cellular assay. Compound 3 displays higher potency for an ERAP1 variant associated with increased risk of autoimmune disease. These inhibitors provide mechanistic insights into the determinants of specificity for ERAP1, ERAP2, and IRAP and offer a new therapeutic approach of specifically inhibiting ERAP1 activity in vivo.

ERAP1 MODULATORS

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Page/Page column 87, (2021/05/21)

The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or hydrate thereof, A compound of formula (I), or a pharmaceutically acceptable salt or hydrate thereof, (I) wherein: Z is a group of formula: (II) wherein P

RAD51 INHIBITORS

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, (2020/09/27)

This application is directed to inhibitors of RAD51 represented by the following structural formula, (I), and methods for their use, such as to treat cancer, autoimmune diseases, immune deficiencies, or neurodegenerative diseases.

PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS

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Page/Page column 143-144, (2020/11/23)

The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or hydrate thereof, wherein: the group X-Y is -NHSO2- or -SO2NH-; Z is a monocyclic aryl or heteroaryl group, each of which is optionally substituted by one ormore substituents selected from alkyl, cycloalkyl, halo, alkoxy, CN, haloalkyl and OH; R1 is H or alkyl; R2 is selected from COOH and a tetrazolyl group; R3 is selected from H, C land alkyl; R4 is selected from H and halo; R5 is selected from H, alkyl, haloalkyl, SO2-alkyl,Cl, alkoxy, OH, CN, hydroxyalkyl, alkylthio, heteroaryl, cycloalkyl, heterocycloalkyl andhaloalkoxy; R6 is H; R7 is selected from H, CN, haloalkyl, halo, SO2-alkyl,SO2NR12R13, heteroaryl, CONR10R11 and alkyl, wherein said heteroaryl group is optionallysubstituted by one or more substituents selected from alkyl, halo, alkoxy, CN, haloalkyl and OH; R8 is selected from H, alkyl, haloalkyl and halo; and R9 is H, alkyl or halo; R10 and R11 are each independently H or alkyl; and R12 and R13 are each independently H or alkyl. Further aspects of the invention relate to such compounds for use in the field of immuno- oncology and related applications. Another aspect of the invention relates to compounds of formulae (la) and (lb).

AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS

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, (2015/09/22)

Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS

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Paragraph 0837; 0838; 0839, (2015/07/22)

Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

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