2113650-04-5 Usage
Description
(2R)-2-[(2-[(3-cyanophenyl)methoxy]-4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy-5-methylphenylmethyl)amino]-3-hydroxypropanoic acid hydrochloride is a complex organic compound with a molecular structure that features a 3-hydroxypropanoic acid core, a hydrochloride salt form, and multiple aromatic and heterocyclic moieties. This molecule is characterized by its chiral center at the 2-position, denoted by the (2R) configuration, and a diverse array of functional groups that contribute to its potential biological activities and interactions.
Uses
Used in Pharmaceutical Industry:
(2R)-2-[(2-[(3-cyanophenyl)methoxy]-4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy-5-methylphenylmethyl)amino]-3-hydroxypropanoic acid hydrochloride is used as a potential therapeutic agent for various medical conditions due to its complex structure and the presence of multiple functional groups that may interact with biological targets.
Used in Chemical Research:
(2R)-2-[(2-[(3-cyanophenyl)methoxy]-4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy-5-methylphenylmethyl)amino]-3-hydroxypropanoic acid hydrochloride can be utilized in chemical research as a starting material or a scaffold for the development of new drugs or bioactive molecules. Its unique structure and functional groups make it a valuable candidate for further modification and optimization in the search for novel therapeutic agents.
Used in Drug Delivery Systems:
Similar to gallotannin, (2R)-2-[(2-[(3-cyanophenyl)methoxy]-4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy-5-methylphenylmethyl)amino]-3-hydroxypropanoic acid hydrochloride may also be employed in the development of drug delivery systems. Its structural features could be exploited to improve the delivery, bioavailability, and therapeutic outcomes of various drugs, particularly in the context of cancer treatment.
Check Digit Verification of cas no
The CAS Registry Mumber 2113650-04-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 2,1,1,3,6,5 and 0 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2113650-04:
(9*2)+(8*1)+(7*1)+(6*3)+(5*6)+(4*5)+(3*0)+(2*0)+(1*4)=105
105 % 10 = 5
So 2113650-04-5 is a valid CAS Registry Number.
2113650-04-5Relevant articles and documents
Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1
Guzik, Katarzyna,Zak, Krzysztof M.,Grudnik, Przemyslaw,Magiera, Katarzyna,Musielak, Bogdan,T?rner, Ricarda,Skalniak, Lukasz,D?mling, Alexander,Dubin, Grzegorz,Holak, Tad A.
, p. 5857 - 5867 (2017)
Blockade of the PD-1/PD-L1 immune checkpoint pathway with monoclonal antibodies has provided significant advances in cancer treatment. The antibody-based immunotherapies carry a number of disadvantages such as the high cost of the antibodies, their limited half-life, and immunogenicity. Development of small-molecule PD-1/PD-L1 inhibitors that could overcome these drawbacks is slow because of the incomplete structural information for this pathway. The first chemical PD-1/PD-L1 inhibitors have been recently disclosed by Bristol-Myers Squibb. Here we present NMR and X-ray characterization for the two classes of these inhibitors. The X-ray structures of the PD-L1/inhibitor complexes reveal one inhibitor molecule located at the center of the PD-L1 homodimer, filling a deep hydrophobic channel-like pocket between two PD-L1 molecules. Derivatives of (2-methyl-3-biphenylyl)methanol exhibit the structures capped on one side of the channel, whereas the compounds based on [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanol induce an enlarged interaction interface that results in the open "face-back" tunnel through the PD-L1 dimer.
