201006-62-4

Basic information

• Product Name: Carbamic acid, [(1S)-1-(2-benzothiazolylcarbonyl)-4-[[imino[[(4-methoxy-2,3,6-trimethyl phenyl)sulfonyl]amino]methyl]amino]butyl]-, 1,1-dimethylethyl ester
• CAS NO: 201006-62-4
• Molecular Formula: C28H37N5O6S2
• Molecular Weight: 603.764
• Mol File: 201006-62-4.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [(1S)-1-(2-benzothiazolylcarbonyl)-4-[[imino[[(4-methoxy-2,3,6-trimethyl phenyl)sulfonyl]amino]methyl]amino]butyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1S)-1-(2-benzothiazolylcarbonyl)-4-[[imino[[(4-methoxy-2,3,6-trimethyl phenyl)sulfonyl]amino]methyl]amino]butyl]-, 1,1-dimethylethyl ester(201006-62-4)
• EPA Substance Registry System: Carbamic acid, [(1S)-1-(2-benzothiazolylcarbonyl)-4-[[imino[[(4-methoxy-2,3,6-trimethyl phenyl)sulfonyl]amino]methyl]amino]butyl]-, 1,1-dimethylethyl ester(201006-62-4)

Safety Data

• Hazardous Substances Data: 201006-62-4(Hazardous Substances Data)

Upstream product

• 95-16-9 1,3-Benzothiazole 
• 142801-55-6 N-α-(t-butyloxycarbonyl)-N'-ω'-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine-N,O-dimethylhydroxyamide 
• 102185-38-6 Nα-(t-butyloxycarbonyl)-Nω-(4-methoxy-2,3,6-trimethylbenzenesulphonyl)-L-arginine 
• 2386-64-3 ethylmagnesium chloride 
• 1001068-45-6 C₂₄H₃₆N₆SO₆ 

Downstream Products

• 287183-01-1 C₃₀H₄₀N₆O₇S₂ 
• 203453-39-8 N-<4-amino-5-(1,3-benzothiazol-2-yl)-5-hydroxypentyl>-N'-<(4-methoxy-2,3,6-trimethylphenyl)sulfonyl>guanidine 

Relevant articles and documents

Structure-based design, synthesis, and biological evaluation of Leu-Arg dipeptide analogs as novel hepsin inhibitors

Hepsin, a type II transmembrane serine protease, is an attractive protein as a potential therapeutic and diagnostic biomarker for prostate cancer because it is highly up-regulated in prostate cancer and promotes both progression and metastasis. Starting from the reported tetrapeptide hepsin inhibitor Ac-KQLR-ketothiazole (kt) (1), we investigated the minimal structural requirements for hepsin inhibitory activity by truncating amino acids at the N-terminus. The kt and ketobenzothiazole (kbt) dipeptide analogs Ac-LR-kt (3) and Ac-LR-kbt (15) were found to be potent hepsin inhibitors, exhibiting Ki values of 22 nM and 3 nM, respectively. The present work suggests that LR-containing dipeptide molecules could be useful as lead compounds for the development of novel hepsin inhibitors.

Analysis of subpocket selectivity and identification of potent selective inhibitors for matriptase and matriptase-2

We studied the factors affecting the selectivity of peptidomimetic inhibitors of the highly homologous proteases matriptase and matriptase-2 across subpockets using docking simulations. We observed that the farther away a subpocket is located from the catalytic site, the more pronounced its role in selectivity. As a result of our exhaustive virtual screening, we biochemically validated novel potent and selective inhibitors of both enzymes.

Compounds and Compositions as Channel Activating Protease Inhibitors

The invention provides compounds and pharmaceutical compositions thereof, which are useful for modulating channel activating proteases, and methods for using such compounds to treat, ameliorate or prevent a condition associated with a channel activating protease, including but not limited to prostasin, PRSS22, TMPRSS11 (e.g., TMPRSS11B, TMPRSS11E), TMPRSS2, TMPRSS3, TMPRSS4 (MTSP-2), matriptase (MTSP-1), CAP2, CAP3, trypsin, cathepsin A, or neutrophil elastase.