pranazepide - Moligand™ , Antagonist of CCK 1 receptor, CAS No.150408-73-4, Antagonist of CCK 1 receptor

CAS: 150408-73-4 Cat. No.: P612913 PubChem CID: 132916

GRADE & PURITY Moligand™

Synonyms

Q27088440 | 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione | Pranazepide | (-)-N-((S)-1-(o-Fluorophenyl)-3,4,6,7-tetrahydro-4-oxopyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)indole-2-carboxamide | PDSP1_000880 | Panazepide (JAN) | 1H-Indole-2-carbox

Storage

Room temperature

Specifications

Synonyme

Q27088440 | 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione | Pranazepide | (-)-N-((S)-1-(o-Fluorophenyl)-3,4,6,7-tetrahydro-4-oxopyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)indole-2-carboxamide | PDSP1_000880 | Panazepide (JAN) | 1H-Indole-2-carbox

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of CCK 1 receptor

Namen und Kennungen

• Kanonisches Lächeln: C1CN2C(=O)C(N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5
• IUPAC Name: N-[(11S)-9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
• InChIKey: WKJDXKWFGJWGAS-XMMPIXPASA-N
• INCHI: 1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
• Isomere SMILES: C1CN2C(=O)[C@H](N=C(C3=CC=CC1=C32)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5
• Alternative CAS-Nummer: 150408-73-4
• PubChem CID: 132916
• MeSH-Eintrag: FK 480;FK480;FR 120480;FR-120480;FR120480;N-(1-(2-fluorophenyl)-3,4,6,7-tetrahydro-4-oxo-pyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-1H-indole-2-carboxamide

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Indolecarboxamides and derivatives 1,4-benzodiazepines Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Fluorobenzenes Substituted pyrroles Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxamide derivative - Benzodiazepine - 1,4-benzodiazepine - Indole or derivatives - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Imine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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

Zugehörige Ziele (menschlich)

CCKAR Tclin Cholecystokinin receptor type A (1 Activities)

Discover Target: CCKAR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

Zugehörige Ziele (nicht menschlich)

Cckar Cholecystokinin A receptor (90 Activities)

Discover Target: Cckar

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 438.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 438.149 Da
• Monoisotopic Mass: 438.149 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 818.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 150408-73-4. InChIKey WKJDXKWFGJWGAS-XMMPIXPASA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.