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Pasireotide ditrifluoroacetate

* Please kindly note that our products are not to be used for therapeutic purposes and cannot be sold to patients.

Pasireotide, also known as SOM230, is an orphan drug approved for the treatment of Cushing's disease in patients who fail or are ineligible for surgical therapy. It was developed by Novartis. Pasireotide is a somatostatin analog with a 40-fold increased affinity to somatostatin receptor 5 compared to other somatostatin analogs.

Category

Peptide Inhibitors

Catalog number

BAT-016461

Molecular Formula

C62H68F6N10O13

Molecular Weight

1275.3

Specification

IUPAC Name

[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;2,2,2-trifluoroacetic acid

Synonyms

Pasireotide TFA salt; SOM230 TFA salt; SOM-230 TFA salt; SOM 230 TFA salt; SOM230 ditrifluoroacetate; SOM-230 ditrifluoroacetate; SOM 230 ditrifluoroacetate

Related CAS

396091-73-9 (free base)

Sequence

cyclo[Hyp(Unk)-Phg-D-Trp-Lys-Tyr(Bn)-Phe].2TFA

InChI

InChI=1S/C58H66N10O9.2C2HF3O2/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;2*3-2(4,5)1(6)7/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);2*(H,6,7)/t43-,46+,47+,48-,49+,50+,51+;;/m1../s1

InChI Key

ABBCSVUJDDJRNM-YVPAVDIOSA-N

Canonical SMILES

C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O