Octreotida [Spanish]
Basic information
- CAS
83150-76-9- Standard SMILES
CC(O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O- InChIKey
DEQANNDTNATYII-RRCPSWKPSA-N- Molecular formula
- C49H66N10O10S2
- Average molar mass
- 1,019.2 g/mol
- Monoisotopic mass
- 1,018.44048069
Names & identifiers
- Preferred name
- Octreotida [Spanish]
- IUPAC
- (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- English name
- Octreotide acetate
- Molecular formula
- C49H66N10O10S2
- Molecular weight
- 1019.24
Names & synonyms
Octreotidum [Latin]Octreotida [Spanish]SCHEMBL18636CHEMBL3182554DTXCID6028608SCHEMBL31129648Tox21_113067NCGC00181796-01CAS-83150-76-9Octreotide acetate (SMS 201-995 (acetate))Q63413189ctreotide
Show more names
DARAMONOLGMP(CFDA)OXTREOTIDELongastatinOctreotide acetateOctreotode AcetateOcetreotide, AcetateOctreotide oral filmOctreotide Acetate（b）
Database identifiers
- CAS
83150-76-9- PubChem CID
- 6400441
- ChEMBL
CHEMBL3182554
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 383 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,740
Experimental & physicochemical properties
LogP1
Solubility1.22e-02 g/L
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 140 °C · >140°C (dec.)
- Boiling point
- 1447.2 · 1447.2±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in acetic acid, DMSO, and methanol
- pka
- 12.6 · 12.60±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 1.2 mg/ml · Soluble to 1.20 mg/ml in water
- Sequence
- {d-Phe}-Cys-Phe-{d-Trp}-Lys-Thr-Cys-{d-Threoninol} (Disulfide bridge: Cys2-Cys7)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
ATC CodeH01CB02
Cellular LocationsCytoplasm
Applications
DescriptionOctreotide is a long-acting somatostatin analog indicated for symptomatic control in acromegaly and gastroenteropancreatic tumors. Other potential uses under investigation include diabetes, psoriasis and Alzheimer's disease.
UsesOctreotide Acetate is the acetate salt of a synthetic long-acting cyclic octapeptide with pharmacologic properties mimicking those of the natural hormone somatostatin. It inhibits the secretion of growth hormone, glucagon, insulin, gastrin, vasoactive intestinal peptide, secretin, motilin and pancreatic polypeptide. Octreotide acetate was uses for the treatment of severe diarrhea and flushing associated with malignant carcinoid tumors, acromegaly, and diarrhea associated with VIPoma; and, then in 2010, for the treatment of neuroendocrine tumors.
General DescriptionOctreotide is a somatostatin analogue with D-Phe-Cys-Phe-D-Trp-Lys-ThrCys-Thr-OH amino acid sequence.
Upstream & downstream products
Upstream raw materials
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