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Chemical structure of Pasireotide L-aspartate salt

GC36858

Pasireotide L-aspartate salt

Also known as (2S)-2-aminobutanedioic acid;[(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

Pasireotide (SOM230) L-aspartate salt, a long-acting cyclohexapeptide somatostatin analogue, can improve agonist activity at somatostatin receptors (subtypes sst1/2/3/4/5, pKi=8·2/9·0/9·1/＜7·0/9·9, respectively)

ChemicalCAS396091-77-3MW1180.31FormulaC62H73N11O13
CAS number
396091-77-3
Molecular weight
1180.31
Formula
C62H73N11O13
Solubility
DMSO： 1 mg/mL (0·85 mM)
InChIKey
XOMKXFJQWURETI-XZRPHVMWSA-N
Catalogue number
GC36858
Brand
GLPBIO
Computed properties PubChem CID 78358324 · TPSA 382 Ų · H-bond donors 12 · H-bond acceptors 16
TPSA
382 Ų
H-bond donors
12
H-bond acceptors
16
Rotatable bonds
21
Heavy atoms
86

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.C([C@@H](C(=O)O)N)C(=O)O

Computed descriptors from PubChem (CID 78358324), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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