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

CAS: 405225-21-0 Cat. No.: N288067 分子式: C₂₄H₂₄FNO₃ 分子量: 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

同義語

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

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

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

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

GlyT1

純度

≥98%(HPLC)

名前と識別子

• カノニカル・スマイル: 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)
• 異性体SMILES: CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O
• 代替CAS番号: 405225-21-0
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

関連ターゲット（非人間）

Slc6a9 Glycine transporter 1 (255 Activities)

Discover Target: Slc6a9

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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
• 分子量: 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