CCK-4 - ≥98% , CAS No.1947-37-1

CAS: 1947-37-1 Cat. No.: C275348 分子式: C₂₉H₃₆N₆O₆S 分子量: 596.7

GRADE & PURITY ≥98%

Synonyms

(S)-4-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-4-(methylthio)butanamido)-4-oxobutanoic acid | F52842 | TETRAGASTRIN [WHO-DD] | L-Triptophyl-L-methyionyl-L-alpha-aspartyl-L-phenylalaninamide | Tetraga

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Tetragastrin (Cholecystokinin tetrapeptide; CCK-4) is the C-terminal tetrapeptide of gastrin. Tetragastrin can stimulate gastric secretion[1]. Tetragastrin is a Cholecystokinin (CCK-4) receptor agonist[2]. Gastric mucosal protection

Specifications

同義語

(S)-4-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-4-(methylthio)butanamido)-4-oxobutanoic acid | F52842 | TETRAGASTRIN [WHO-DD] | L-Triptophyl-L-methyionyl-L-alpha-aspartyl-L-phenylalaninamide | Tetraga

仕様と純度

≥98%

生化学的・生理学的メカニズム

Selective cholecystokinin B (CCK B ) receptor agonist. Increases secretory activity of mast cells. Anxiogenic agent. Active in vivo and in vitro .

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• パブケム・シド: 528763697
• カノニカル・スマイル: CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N
• IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
• InChIKey: RGYLYUZOGHTBRF-BIHRQFPBSA-N
• INCHI: 1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1
• 異性体SMILES: CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
• 分子量: 596.7
• Reaxy-Rn: 470879
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=470879&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives Methionine and derivatives Aspartic acid and derivatives N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Amphetamines and derivatives Aralkylamines Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Aspartic acid or derivatives - Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Substituted pyrrole - Fatty acyl - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Thioether - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

CCKBR Tclin Cholecystokinin B receptor (3550 Activities)

Discover Target: CCKBR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 1 mg/ml
• 分子量: 596.700 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 596.242 Da
• Monoisotopic Mass: 596.242 Da
• Topological Polar Surface Area: 235.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 948.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1