loading...| Preferred Name |
pasireotide |
|
| Synonyms |
pasireotida pasireotide SOM 230 cyclo((4R)-4-(2-aminoethylcarbamoyloxy)-L-prolyl-L-phenylglycyl-D-tryptophyl-L-lysyl-4-O-benzyl-L-tyrosyl-L- phenylalanyl-) SOM230 SOM-230 pasireotidum cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-aminoethyl)carbamoyl]oxy}-L-prolyl] |
|
| Definitions |
A six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72312 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22745760 CAS:396091-73-9 KEGG:D10147 PMID:21532334 PMID:22713526 PMID:20643121 PMID:20970474 PMID:23102680 PMID:22736724 Wikipedia:Pasireotide PMID:22383336 PMID:22573933 PMID:21506098 PMID:21493671 PMID:22282526 PMID:21264796 PMID:21330405 PMID:23345100 Reaxys:9469122 PMID:22960304 PMID:21732759 PMID:22634958 PMID:21525729 PMID:23137853 PMID:21673137 PMID:22170729 PMID:22807497 PMID:22965070 |
|
| definition |
A six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease. |
|
| formula |
C58H66N10O9 |
|
| has role | ||
| has_exact_synonym |
cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-aminoethyl)carbamoyl]oxy}-L-prolyl] |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
pasireotida pasireotide SOM 230 cyclo((4R)-4-(2-aminoethylcarbamoyloxy)-L-prolyl-L-phenylglycyl-D-tryptophyl-L-lysyl-4-O-benzyl-L-tyrosyl-L- phenylalanyl-) SOM230 SOM-230 pasireotidum |
|
| id |
CHEBI:72312 |
|
| in_subset | ||
| inchi |
InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1 |
|
| inchikey |
VMZMNAABQBOLAK-DBILLSOUSA-N |
|
| is conjugate base of | ||
| label |
pasireotide |
|
| mass |
1047.20620 |
|
| monoisotopicmass |
1046.50142 |
|
| notation |
CHEBI:72312 |
|
| prefLabel |
pasireotide |
|
| smiles |
NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O)OC(=O)NCCN)c1ccccc1 |
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| treeView | ||
| subClassOf |