Category: 70810-23-0

St. Laurent, Denis R. published the artcileHCV NS5A Replication Complex Inhibitors. Part 4. Optimization for Genotype 1a Replicon Inhibitory Activity, Safety of 1,5-Dichloroisoquinoline, the main research area is stilbene acylprolinamide preparation inhibition NS5A replication complex hepatitis C; structure bisacylprolinamide inhibition selectivity hepatitis C toxicity; hepatitis C genotype 1a replication inhibition stilbene acylprolinamide.

Sym. stilbene bis(acylprolinamides) such as I (R = PhCH2, 2-EtC6H4, Ph, 2-vinylphenyl, 1-naphthyl, 3-ethyl-2-pyridinyl, 4-ethyl-2-pyridinyl, 3-vinyl-2-pyridinyl, 3-phenyl-2-pyridinyl, 1-isoquinolyl, 3-isoquinolinyl, 2-quinolinyl, 4-isoquinolinyl, 4-quinazolinyl, 1-phthalazinyl, 3-chloro-1-isoquinolinyl, 4-chloro-1-isoquinolinyl, 5-chloro-1-isoquinolinyl, 6-chloro-1-isoquinolinyl, 7-chloro-1-isoquinolinyl, 3-fluoro-1-isoquinolinyl, 5-fluoro-1-isoquinolinyl, 3-methyl-1-isoquinolinyl, 5-methyl-1-isoquinolinyl, 3-methoxy-5-isoquinolinyl, 5-methoxy-1-isoquinolinyl, 3-chloro-1-naphthyl, 3-chloro-5-fluoro-1-isoquinolinyl, 3-chloro-5-methoxy-1-isoquinolinyl, 5-methoxy-2-quinolinyl, 7-methoxy-2-quinolinyl) derived from the library-synthesized lead I (R = PhCH2) were prepared as HCV genotype 1a (G-1a) and genotype 1b (G-1b) replicon inhibitors; their selectivities for inhibition of HCV over general viral inhibition and their cytotoxicities to human Huh-7 cells were determined The structure-activity relationships for inhibition of HCV replication by sym. bis(prolinamide) HCV inhibitors were determined I (R = 1-isoquinolinyl) was a selective HCV NS5A inhibitor exhibiting submicromolar potency against both G-1a and G-1b replicons; further optimization identified I (R = 3-chloro-5-methoxy-1-isoquinolinyl) as a potent, dual G-1a/1b HCV NS5A inhibitor. The structure-activity relations derived from I were used in the discovery of the NS5A replication complex inhibitor daclatasvir II.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 70810-23-0 belongs to class isoquinoline, name is 1,5-Dichloroisoquinoline, and the molecular formula is C9H5Cl2N, Safety of 1,5-Dichloroisoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Scola, Paul M. published the artcileDiscovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection, COA of Formula: C9H5Cl2N, the main research area is BMS 605339 tripeptidic acylsulfonamide NS3 protease inhibitor hepatitis C.

The discovery of BMS-605339 (35), a tripeptidic inhibitor of the NS3/4A enzyme, is described. This compound incorporates a cyclopropylacylsulfonamide moiety that was designed to improve the potency of carboxylic acid prototypes through the introduction of favorable nonbonding interactions within the S1′ site of the protease. The identification of 35 was enabled through the optimization and balance of critical properties including potency and pharmacokinetics (PK). This was achieved through modulation of the P2* subsite of the inhibitor which identified the isoquinoline ring system as a key template for improving PK properties with further optimization achieved through functionalization. A methoxy moiety at the C6 position of this isoquinoline ring system proved to be optimal with respect to potency and PK, thus providing the clin. compound 35 which demonstrated antiviral activity in HCV-infected patients.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 70810-23-0 belongs to class isoquinoline, name is 1,5-Dichloroisoquinoline, and the molecular formula is C9H5Cl2N, COA of Formula: C9H5Cl2N.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Su, Ja-An published the artcileCarbon-13 NMR studies of quinolines and isoquinolines. II. Chlorine-nitrogen interactions and N-oxide effects, SDS of cas: 70810-23-0, the main research area is NMR carbon quinoline isoquinoline.

The 13C NMR shifts were assigned for chloro-, dichloro-, and chloromethylquinolines and -isoquinolines and some of their N-oxides. Cl substituent chem. shifts are reported for α, ortho, meta, para, and peri positions. Consistent patterns were observed for the para and peri positions, a vinylogous ortho pattern is reported and the additivity of the substituent chem. shifts demonstrated. The steric and N lone pair contributions which modify the normal Cl substituent chem. shifts, were determined and these contributions shown to be additive. Large upfield shifts were observed for the carbons ortho and para to the N-oxide group. Substituent chem. shifts are essentially the same for the N-oxides as for the parent heterocycles and are additive except where the substituent is ortho to the N-oxide moiety in which case substantial interactions are involved.

Organic Magnetic Resonance published new progress about NMR (nuclear magnetic resonance). 70810-23-0 belongs to class isoquinoline, name is 1,5-Dichloroisoquinoline, and the molecular formula is C9H5Cl2N, SDS of cas: 70810-23-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem