pasireotide (CHEBI:72312)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72312 - pasireotide

Take structure to advanced search

ChEBI ID	CHEBI:72312
ChEBI Name	pasireotide
Stars
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.
Last Modified	22 February 2017
Submitter	Steve
Downloads	Molfile

Formula	C58H66N10O9
Net Charge	0
Average Mass	1047.227
Monoisotopic Mass	1046.50142
SMILES	NCCCC[C@@H]1NC(=O)[C@@H](Cc2cnc3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O
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

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	pasireotide (CHEBI:72312) has role antineoplastic agent (CHEBI:35610)
	pasireotide (CHEBI:72312) is a homodetic cyclic peptide (CHEBI:24613)
	pasireotide (CHEBI:72312) is a peptide hormone (CHEBI:25905)
	pasireotide (CHEBI:72312) is conjugate base of pasireotide(2+) (CHEBI:72315)
Incoming Relation(s)
Incoming Relation(s)	pasireotide(2+) (CHEBI:72315) is conjugate acid of pasireotide (CHEBI:72312)

IUPAC Name
cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-benzyl-L-tyrosyl-L-phenylalanyl-(4R)-4-{[(2-aminoethyl)carbamoyl]oxy}-L-prolyl]

INNs	Source
pasireotida	WHO MedNet
pasireotide	WHO MedNet
pasiréotide	WHO MedNet
pasireotidum	WHO MedNet

Synonyms	Source
cyclo((4R)-4-(2-aminoethylcarbamoyloxy)-L-prolyl-L-phenylglycyl-D-tryptophyl-L-lysyl-4-O-benzyl-L-tyrosyl-L- phenylalanyl-)	ChemIDplus
SOM 230	ChemIDplus
SOM-230	ChemIDplus
SOM230	ChemIDplus

Manual Xrefs	Databases
D10147	KEGG DRUG
Pasireotide	Wikipedia

Registry Numbers	Sources
Reaxys:9469122	Reaxys
CAS:396091-73-9	ChemIDplus
CAS:396091-73-9	KEGG DRUG

Citations