シンカリド

Sincalide

HCID 9833444
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基本情報

CAS
25126-32-3
標準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
分子式
C49H62N10O16S3
平均分子量
1,143.3 g/mol
単同位体質量
1,142.35073945

名称と識別子

優先名称
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
現地名
シンカリド
英語名
Sincalide
分子式
C49H62N10O16S3
分子量
1143.27

名称と別名

Sincalide25126-32-3CCK-8KinevacSincalidaCCK-8SSincalidumSyncalideSQ 19844cholecystokinin C-terminal octapeptideDTXSID7048617CCK C-terminal octapeptide
名称をさらに表示
L-Asp-O-スルホ-L-Tyr-L-Met-Gly-L-Trp-L-Met-L-Asp-L-Phe-NH2シンカリドコレシストキニン-8【ブタ】コレシストキニンパンクレオジミンキネバックコレシストキニン-8【ニワトリ】コレシストキニン8コレシストキニン-8コレシストキニンオクタペプチドコレシストキニン-8Sコレシストキニン8SコレシストキニンC-ターミナルオクタペプチドAsp-O-スルホ-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2コレシストキニンオクタペプチド (硫酸化)CCKオクタペプチド, 硫酸化硫酸化コレシストキニン, フラグメント26-33コレシストキニン (SULFATED FORM) (AMMONIUM FORM)(TYR[SO3H]27)コレシストキニンフラグメント 26-33 アミドコレシストキニン-パンクレオジミン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)

データベース識別子

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

物性

構造計算による物性

XLogP
-2.6
極性表面積
486 Ų
水素結合供与体数
13
水素結合受容体数
19
回転可能結合数
33
重原子数
78

物理化学的性質

融点
193 °C · >193°C (dec.)
比旋光度
23 · D23 -18.4° (c = 0.7 in 1N NH3)
比重(密度)
1.44 · 1.440±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · -20°C
溶解性
0.05 M · 0.05 M 水酸化アンモニウム: 1 mg/mL、無色透明
外見
粉

安全と法規制

毒性情報

Drug Induced Liver Injury · 6 件

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 件

◉ 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.

安全データ

F
8-10-21
wgk
3
hs_code
2933998090
safety_code
22-24/25
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

ATC Code · 2 件

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 件

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 件

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.
応用分野 · 2 件

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

一般的な説明It was thought originally that cholecystokinin and pancreozyminwere two different hormones. Cholecystokinin wasthought to be responsible for contraction of the gallbladder,whereas pancreozymin was believed to induce secretion ofpancreatic enzymes. It is now clear that both actions arecaused by a single 33-residue polypeptide, referred to ascholecystokinin–pancreozymin (CCK-PZ). CCK-PZ is secretedin the blood in response to the presence of food in theduodenum, especially long-chain fatty acids. The fiveCOOH-terminal amino acid residues are identical with thosein gastrin. The COOH-terminal octapeptide retains full activityof the parent hormone.

上流・下流製品情報

上流原料

サプライヤー100 社

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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