X-ray diffraction, solution structure, and computational studies on derivatives of (3-sec-butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic acid: Compounds with activity as calpain inhibitors

Journal of Organic Chemistry

Volumn 75, Issue 2, 2010, Pages 342-352

  Alonso, Mercedes ^a   Chicharro, Roberto ^a   Miranda, Carlos ^a   Arán, Vicente J ^b   Maestro, Miguel A ^c   Herradón, Bernardo ^a  

^a INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^c UNIVERSITY OF A CORUÑA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALPAINS; CHEMICAL EQUATIONS; COMPUTATIONAL STUDIES; CRYSTAL PACKINGS; CYSTEINE PROTEASE; DFT CALCULATION; DOUBLE BONDS; INTERMOLECULAR INTERACTIONS; NMR SPECTROSCOPY; PATHOLOGICAL CONDITIONS; PHYSIOLOGICAL PROCESS; POTENT INHIBITOR; SOLID-STATE STRUCTURES; SOLUTION STRUCTURES; STRUCTURE ACTIVITY RELATIONSHIPS; THERAPEUTIC AGENTS; X-RAY DIFFRACTION DATA;

ACETIC ACID; ACIDS; CALCIUM; CHEMICAL BONDS; CHEMICAL REACTIONS; DIFFRACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PH EFFECTS; STRUCTURAL ANALYSIS; SULFUR COMPOUNDS;

X RAY DIFFRACTION;

(3 BUTYL 2,3 DIHYDRO 1H ISOQUINOLIN 4 YLIDENE)ACETIC ACID DERIVATIVE; ACETIC ACID DERIVATIVE; CALPAIN; CALPASTATIN; EXOCYCLIC DOUBLE BOND; ISOQUINOLINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; DRUG SYNTHESIS; IC 50; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ACTIVITY RELATION; X RAY DIFFRACTION;

ACETATES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; GLYCOPROTEINS; ISOQUINOLINES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP; X-RAY DIFFRACTION;

EID: 75349090735     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo902091u     Document Type: Article

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