1208999-98-7

Basic information

• Product Name: C₄₄H₆₇N₁₃O₁₄S₂
• Synonyms: C₄₄H₆₇N₁₃O₁₄S₂
• CAS NO: 1208999-98-7
• Molecular Weight: 1066.23
• Mol File: 1208999-98-7.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: C₄₄H₆₇N₁₃O₁₄S₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₄₄H₆₇N₁₃O₁₄S₂(1208999-98-7)
• EPA Substance Registry System: C₄₄H₆₇N₁₃O₁₄S₂(1208999-98-7)

Safety Data

• Hazardous Substances Data: 1208999-98-7(Hazardous Substances Data)

Upstream product

• 1208999-97-6 C₃₁H₃₁N₃O₁₀ 
• 1208999-99-8 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)octanedioic acid 

Relevant articles and documents

Synthesis and evaluation of a near-infrared fluorescent non-peptidic bivalent integrin αvβ3 antagonist for cancer imaging

Computer modeling approaches to identify new inhibitors are essentially a very sophisticated and efficient way to design drugs. In this study, a bivalent nonpeptide intergrin αvβ3 antagonist (bivalent IA) has been synthesized on the basis of an in silico rational design approach. A near-infrared (NIR) fluorescent imaging probe has been developed from this bivalent compound. In Vitro binding assays have shown that the bivalent IA (IC50 ) 0.40 ± 0.11 nM) exhibited improved integrin αvβ3 affinity in comparison with the monovalent IA (IC50 ) 22.33 ± 4.51 nM), resulting in an over 50-fold improvement in receptor affinity. NIR imaging probe, bivalent-IA-Cy5.5 conjugate, also demonstrated significantly increased binding affinity (IC50 ) 0.13 ± 0.02 nM). Fluorescence microscopy studies showed integrin-mediated endocytosis of bivalent-IA-Cy5.5 in U87 cells which was effectively blocked by nonfluorescent bivalent IA. We also demonstrated tumor accumulation of this NIR imaging probe in U87 mouse xenografts.

Labeled, non-peptidic, multivalent integrin antagonist compounds; methods for synthesis and uses thereof

Disclosed are multivalent, integrin-receptor antagonists that are useful in a variety of therapeutic, prophylactic, and/or diagnostic imaging modalities. In illustrative embodiments, such compounds have been prepared and utilized in the imaging, detection, localization, and/or quantitation of one or more samples of biological interest. Similarly, these compounds, as well as formulations comprising them, find utility in the prevention, treatment, and/or amelioration of one or more symptoms of a disease, abnormal condition, dysfunction, etc., including, for example proliferative diseases such as cancer in affected animals. In certain embodiments, fluorescently- or radio-labeled-non-peptidic, multivalent integrin αvβ3 compounds are provided. Compositions including such compounds have been shown to have utility in detecting, localizing, quantitating, and/or imaging integrin αvβ3 receptor-expressing cells, including, for example, cancer cells in vitro, in vivo, and/or in situ.