CHEBI:72313 - pasireotide aspartate

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ChEBI Name pasireotide aspartate
ChEBI ID CHEBI:72313
Definition An aspartate salt that is the diaspartate salt of pasireotide. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used for treatment of Cushing's disease.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C66H80N12O17
Net Charge 0
Average Mass 1313.41160
Monoisotopic Mass 1312.57644
InChI InChI=1S/C58H66N10O9.2C4H7NO4/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*5-2(4(8)9)1-3(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*2H,1,5H2,(H,6,7)(H,8,9)/t43-,46+,47+,48-,49+,50+,51+;2*2-/m100/s1
InChIKey NEEFMPSSNFRRNC-HQUONIRXSA-N
SMILES N[C@@H](CC(O)=O)C(O)=O.N[C@@H](CC(O)=O)C(O)=O.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
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pasireotide aspartate (CHEBI:72313) has part pasireotide(2+) (CHEBI:72315)
pasireotide aspartate (CHEBI:72313) has role antineoplastic agent (CHEBI:35610)
pasireotide aspartate (CHEBI:72313) has role prodrug (CHEBI:50266)
pasireotide aspartate (CHEBI:72313) is a aspartate salt (CHEBI:72314)
IUPAC Name
cyclo[(2S)-2-phenylglycyl-D-tryptophyl-6-azaniumyl-L-norleucyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-ammonioethyl)carbamoyl]oxy}-L-prolyl] bis[(2S)-2-azaniumylsuccinate]
Synonyms Sources
cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-aminoethyl)carbamoyl]oxy}-L-prolyl] bis-(L-aspartate) ChEBI
Pasireotide diaspartate ChemIDplus
SOM230 ChEBI
Brand Name Source
Signifor ChemIDplus
Manual Xref Database
Pasireotide Wikipedia
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Citations Waiting for Citations Types Sources
19910453 PubMed citation Europe PMC
20643121 PubMed citation Europe PMC
21042045 PubMed citation Europe PMC
21525729 PubMed citation Europe PMC
21532334 PubMed citation Europe PMC
21673137 PubMed citation Europe PMC
22573933 PubMed citation Europe PMC
22634958 PubMed citation Europe PMC
22807497 PubMed citation Europe PMC
22960304 PubMed citation Europe PMC
23102680 PubMed citation Europe PMC
Last Modified
11 February 2013