GW-5823 - Moligand™ , Agonist of CCK 1 receptor;Antagonist of CCK 2 receptor, CAS No.G610770, Agonist of CCK 1 receptor;Antagonist of CCK 2 receptor

CAS: G610770 Cat. No.: G610770 PubChem CID: 5311148

GRADE & PURITY Moligand™

Synonyms

GW 5823;GW5823

Storage

Room temperature

Specifications

Synonyme

GW 5823;GW5823

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST, ANTAGONIST

Mechanismus der Wirkung

Agonist of CCK 1 receptor;Antagonist of CCK 2 receptor

Namen und Kennungen

Kanonisches Lächeln

COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C

IUPAC Name

2-[3-(2H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide

InChIKey

LGYKPDHARJMLQN-UHFFFAOYSA-N

INCHI

1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(27)36-37-30/h4-20,23,28H,21-22H2,1-3H3,(H,36,37)

Isomere SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)CC4=C5C=CC=CC5=NN4)C6=CC=CC=C6

PubChem CID

5311148

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: Alpha amino acids and derivatives Anilides Indazoles Methoxyanilines Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers 1,4-diazepines 1,3-dicarbonyl compounds Heteroaromatic compounds Tertiary carboxylic acid amides Pyrazoles Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Alpha-amino acid or derivatives - Benzopyrazole - Indazole - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrazole - Heteroaromatic compound - Azole - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• 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 (3 Activities)

Discover Target: CCKAR

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

CCKBR Tclin Gastrin/cholecystokinin type B receptor (1 Activities)

Discover Target: CCKBR

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

Cavia porcellus (23802 Activities)

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

Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 587.700 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 587.253 Da
• Monoisotopic Mass: 587.253 Da
• Topological Polar Surface Area: 98.800 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 G610770. InChIKey LGYKPDHARJMLQN-UHFFFAOYSA-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.