TP-680 - Moligand™ , Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor, CAS No.176915-07-4, Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

CAS: 176915-07-4 Cat. No.: T614513 PubChem CID: 9873836

GRADE & PURITY Moligand™

Synonyms

TP 680

Storage

Room temperature

Specifications

Synonyms

TP 680

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CCK 1 receptor;Antagonist of CCK 2 receptor

Names and Identifiers

• Canonical Smiles: O=C([C@@H](NC(=O)c1cc2c([nH]1)cccc2)CSc1ncccc1C(=O)O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
• IUPAC Name: 2-[(2R)-3-[4-[di(phenyl)methyl]piperazin-1-yl]-2-(1H-indole-2-carbonylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
• InChIKey: JWXZKQOPZVEJHR-PMERELPUSA-N
• INCHI: 1S/C35H33N5O4S/c41-32(29-22-26-14-7-8-16-28(26)37-29)38-30(23-45-33-27(35(43)44)15-9-17-36-33)34(42)40-20-18-39(19-21-40)31(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-17,22,30-31,37H,18-21,23H2,(H,38,41)(H,43,44)/t30-/m0/s1
• Isomeric SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H](CSC4=C(C=CC=N4)C(=O)O)NC(=O)C5=CC6=CC=CC=C6N5
• PubChem CID: 9873836

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Indolecarboxamides and derivatives Indoles Pyridinecarboxylic acids 2-heteroaryl carboxamides Pyrrole carboxamides N-alkylpiperazines Aralkylamines Alkylarylthioethers Substituted pyrroles Vinylogous thioesters Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aralkylamine - Alkylarylthioether - N-alkylpiperazine - 1,4-diazinane - Substituted pyrrole - Piperazine - Vinylogous thioester - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Tertiary aliphatic amine - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Associated Targets(Human)

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 Gastrin/cholecystokinin type B receptor (1 Activities)

Discover Target: CCKBR

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

Frequently Asked Questions

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 176915-07-4. InChIKey JWXZKQOPZVEJHR-PMERELPUSA-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.