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Pasireotide

CAT: 0957-P1127-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-P1127-1mgSize:1 mg
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CAS Number
396091-73-9
Molecular Formula
C58H66N10O9
Additionnal Information
Pasireotide (SOM230) is a multi-receptor ligand somatostatin analogue with high binding affinity for somatostatin receptor (SSTR) subtypes sst1,2,3 and sst5. It potently suppresses GH, IGF-I and ACTH secretion, indicating potential efficacy in acromegaly and Cushing’s disease.
Storage Conditions
3 years-20°C powder

Chemical Information

Pasireotide

Pasireotide is 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. It has a role as an antineoplastic agent. It is a homodetic cyclic peptide and a peptide hormone. It is a conjugate base of a pasireotide(2+).

CAS Number396091-73-9
PubChem CID9941444
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
Molecular FormulaC58H66N10O9
Molecular Weight1047.2
XLogP4.7
Topological Polar Surface Area281
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count77
Formal Charge0
Complexity1940
SMILES
C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](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
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
Chemical Structure
2D Structure
2D structure of Pasireotide
CAS: 396091-73-9
CID: 9941444
Formula: C58H66N10O9
MW: 1047.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1047.2
XLogP34.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass1046.50142372
Monoisotopic Mass1046.50142372
Topological Polar Surface Area281 Ų
Heavy Atom Count77
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-16381-01Pasireotide
CS-T-99906Pasireotide-d7
HY-16381A-01Pasireotide (acetate)
329636Pasireotide diaspartate
TP2207-01Pasireotide Acetate
T75248-01Pasireotide (diaspartate)
MBS5767280Pasireotide pamoate
HY-108768-01Pasireotide (pamoate)

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