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Chemical structure of Pasireotide acetate

GC62194

Pasireotide acetate

Also known as acetic 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) acetate, 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)

ChemicalCAS396091-76-2MW1107.26FormulaC60H70N10O11
CAS number
396091-76-2
Molecular weight
1107.26
Formula
C60H70N10O11
Solubility
DMSO ： 100 mg/mL (90·31 mM; Need ultrasonic)
InChIKey
WFKFNBBHVLMWQH-QKXVGOHISA-N
Catalogue number
GC62194
Brand
GLPBIO
Computed properties PubChem CID 72205932 · TPSA 319 Ų · H-bond donors 10 · H-bond acceptors 13
TPSA
319 Ų
H-bond donors
10
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
81

SMILES CC(=O)O.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

Computed descriptors from PubChem (CID 72205932), 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
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