NFPS - Moligand™, ≥98%(HPLC) , GlyT1, CAS No.405225-21-0, GlyT1

CAS: 405225-21-0 Cat. No.: N288067 Molecular Weight: 393.45

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

ALX5407 | GTPL4620 | DTXSID30415522 | GTPL4619 | N-[3-(4'-fluorophenyl)-3-(4'-phenylphenoxy)propyl]sarcosine | 2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid | BCP17140 | AKOS024257201 | ( inverted exclamation markA)-NFPS | HMS

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

ALX5407 | GTPL4620 | DTXSID30415522 | GTPL4619 | N-[3-(4'-fluorophenyl)-3-(4'-phenylphenoxy)propyl]sarcosine | 2-{[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl](methyl)amino}acetic acid | BCP17140 | AKOS024257201 | ( inverted exclamation markA)-NFPS | HMS

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective, non-transportable inhibitor of GlyT1 which displays no activity at GABA or glutamate receptors (IC50values are 2.8, 9.8 and 56000 nM for hGlyT1, rGlyT1 and rGlyT2 respectively). Enhances the amplitude of the NMDA component of glutamatergic EPS

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

GlyT1

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O
• IUPAC Name: 2-[[3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
• InChIKey: FDORQEIHOKEJNX-UHFFFAOYSA-N
• INCHI: 1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)
• Isomeric SMILES: CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O
• Alternate CAS: 405225-21-0
• Molecular Weight: 393.45
• Reaxy-Rn: 9350281
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9350281&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Alpha amino acids Phenoxy compounds Phenol ethers Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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 (2 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 3.93, Max Conc. mM: 10; Solvent:ethanol, Max Conc. mg/mL: 1.97, Max Conc. mM: 5 with gentle warming
• Molecular Weight: 393.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 393.174 Da
• Monoisotopic Mass: 393.174 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 481.000
• 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