NPTS - Moligand™ , CAS No.N612384

CAS: N612384 Cat. No.: N612384 PubChem CID: 11998193

GRADE & PURITY Moligand™

Synonyms

(N-[3-phenyl-3-(4'-(4-toluoyl) phenoxy)propyl]sarcosine

Storage

Room temperature

Specifications

Synonyms

(N-[3-phenyl-3-(4'-(4-toluoyl) phenoxy)propyl]sarcosine

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: CN(CC(=O)O)CCC(c1ccccc1)Oc1ccc(cc1)C(=O)c1ccc(cc1)C
• IUPAC Name: 2-[methyl-[3-[4-(4-methylbenzoyl)phenoxy]-3-phenylpropyl]amino]acetic acid
• InChIKey: HNBKNDFZJLEZLZ-UHFFFAOYSA-N
• INCHI: 1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(CCN(C)CC(=O)O)C3=CC=CC=C3
• PubChem CID: 11998193

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Alpha amino acids Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Aralkylamines Alkyl aryl ethers Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Alkyl aryl ether - Aralkylamine - Toluene - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to 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)

SLC6A9 Tchem Sodium- and chloride-dependent glycine transporter 1 (1 Activities)

Discover Target: SLC6A9

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

Associated Targets(non-human)

Slc6a9 Glycine transporter 1 (255 Activities)

Discover Target: Slc6a9

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

Mechanisms of Action