Sincalid

Sincalide

HCID 9833444CAS 25126-32-3

Grundinformationen

Standard-SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey
IZTQOLKUZKXIRV-YRVFCXMDSA-N
Summenformel
C49H62N10O16S3
Durchschnittliche Molmasse
1.143,3 g/mol
Monoisotopische Masse
1.142,35073945

Namen und Bezeichner

Bevorzugter Name
Sincalide
IUPAC
(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
Lokaler Name
Sincalid
Englischer Name
Sincalide
Summenformel
C49H62N10O16S3
Molmasse
1143.27

Namen und Synonyme

Sincalide25126-32-3CCK-8KinevacSincalidaCCK-8SSincalidumSyncalideSQ 19844cholecystokinin C-terminal octapeptideDTXSID7048617CCK C-terminal octapeptide
Weitere Namen anzeigen
Sincalide AcetateSincalidabs50003Sinkalite
SQ-19844M03GIQ7Z6PH-Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-5-L-methionine-Cholecystokinin octapeptideDTXCID4028543L-alpha-Aspartyl-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamideL-Aspartyl-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide hydrogen sulfate (ester)

Datenbank-Bezeichner

CAS
25126-32-3
PubChem CID
9833444
DTXSID
DTXSID7048617
ChEMBL
CHEMBL1121
ChEBI
CHEBI:135946
UNII
M03GIQ7Z6P
EC Number
246-639-0
Nikkaji
J236.060H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2,6
Polarare Oberfläche (TPSA)
486 Ų
H-Brücken-Donoren
13
H-Brücken-Akzeptoren
19
Frei drehbare Bindungen
33
Schwere Atome
78

Physikochemische Eigenschaften

Schmelzpunkt
193 °C · >193°C (dec.)
Dichte
1.44 · 1.440±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
0.05 M · 0.05 M ammonium hydroxide: 1 mg/mL, clear, colorless
Aggregatzustand
powder
pka
-4.17 · -4.17±0.18(Predicted)

Sicherheit und Regulatorisches

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Sincalide

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation · 1 Eintrag

◉ Summary of Use during Lactation;Sincalide is a synthetic octapeptide analogue of cholecystokinin. Because sincalide has a molecular weight of 1143 Da, the amount in milk is likely to be low and oral absorption by the infant is unlikely because it is probably partially destroyed in the infant's gastrointestinal tract and poorly absorbed orally. The serum half-life of sincalide is less than 2 minutes, indicating that withholding breastfeeding for 10 minutes after a dose should ensure that the infant is not exposed to the drug.;◉ Effects in Breastfed Infants;Relevant published information was not found as of the revision date.;◉ Effects on Lactation and Breastmilk;Relevant published information was not found as of the revision date.

Sicherheitsdaten

F
8-10-21
wgk
3
hs_code
2933998090
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

V - Various;V04 - Diagnostic agents;V04C - Other diagnostic agents;V04CC - Tests for bile duct patency;V04CC03 - Sincalide

QV - Various;QV04 - Diagnostic agents;QV04C - Other diagnostic agents;QV04CC - Tests for bile duct patency;QV04CC03 - Sincalide

Protein BindingLimited information is available on the protein binding of sincalide.
Pharmacodynamics · 1 Eintrag

Following an intravenous (bolus) injection of 0.02 mcg/kg of sincalide, maximal contraction of the gallbladder occurred in 5 to 15 minutes. Sincalide reduced gallbladder radiographic size by at least 40%, generally considered satisfactory contraction.

Mechanism of Action · 1 Eintrag

When injected intravenously, sincalide produces a substantial reduction in gallbladder size by causing this organ to contract. The evacuation of bile that results is similar to that which occurs physiologically in response to endogenous cholecystokinin. Like cholecystokinin, sincalide stimulates pancreatic secretion; concurrent administration with secretin increases both the volume of pancreatic secretion and the output of bicarbonate and protein (enzymes) by the gland. This combined effect of secretin and sincalide permits the assessment of specific pancreatic function through measurement and analysis of the duodenal aspirate.

Biological Half-LifeLimited information is available on the half-life of sincalide.
Metabolism/MetabolitesLimited information is available on the metabolism of sincalide.

Anwendungen

VerwendenSincalide is used in the biological studies in the preparation of opioid receptors agonistic and CCK receptor antagonistic activity.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]

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