204318-14-9
Product Name:
DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL (DISULFIDE BRIDGE: 2-7)
Formula:
C65H92N14O18S2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1421.6 g/mol |
|---|---|
| XLogP3 | -7.2 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 25 |
| Rotatable Bond Count | 26 |
| Exact Mass | 1420.61554449 g/mol |
| Monoisotopic Mass | 1420.61554449 g/mol |
| Topological Polar Surface Area | 531 Ų |
| Heavy Atom Count | 99 |
| Formal Charge | 0 |
| Complexity | 2620 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Edotreotide is a chelated octreotide derivative with somatostatin activity. Edotreotide is produced by substituting tyrosine for phenylalanine at the 3 position of octreotide and chelated via dodecanetetraacetic acid (DOTA). Like octreotide, this edotreotide binds to somatostatin receptors (SSTRs), especially type 2, present on the cell membrane of many types of neuroendocrine tumors. When labeled with nuclides, edotreotide conjugates could result in tissue specific cytotoxicity.