ORG-25935 free base , Glycine transporter 1 inhibitor, CAS No.1147011-84-4, Glycine transporter 1 inhibitor

CAS: 1147011-84-4 Cat. No.: O669159 Fórmula: C₂₁H₂₅NO₃ Peso molecular: 339.4

Synonyms

Org-25935 | ORG-25935 free base | SCH 900435 | SCH-900435 | Org 25935 | 55L20667O4 | Glycine, N-methyl-N-(((1R,2S)-1,2,3,4-tetrahydro-6-methoxy-1-phenyl-2-naphthalenyl)methyl)- | UNII-55L20667O4 | DTXSID401045253 | BDBM50459962 | DB12220 | Q7101732 | N-Me

Storage

Room temperature

Specifications

Sinónimos

Org-25935 | ORG-25935 free base | SCH 900435 | SCH-900435 | Org 25935 | 55L20667O4 | Glycine, N-methyl-N-(((1R,2S)-1,2,3,4-tetrahydro-6-methoxy-1-phenyl-2-naphthalenyl)methyl)- | UNII-55L20667O4 | DTXSID401045253 | BDBM50459962 | DB12220 | Q7101732 | N-Me

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Mecanismo de acción

Glycine transporter 1 inhibitor

Propiedades del producto

ALogP

1.6

Nombres e identificadores

Sonrisas canónicas

CN(CC1CCC2=C(C1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O

IUPAC Name

2-[[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl-methylamino]acetic acid

InChIKey

UEBBYLJZCHTLEG-UTKZUKDTSA-N

INCHI

1S/C21H25NO3/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24)/t17-,21+/m1/s1

Isómeros SMILES

CN(C[C@H]1CCC2=C([C@H]1C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O

Peso molecular

339.4

Reaxy-Rn

14575608

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14575608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Tetralins

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Tetralins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetralins
• Alternative Parents: Alpha amino acids Anisoles Aralkylamines Alkyl aryl ethers Benzene and substituted derivatives Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Phenol ether - Anisole - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
• 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

Objetivos asociados (humanos)

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)

Objetivos asociados (no humanos)

Slc6a9 Glycine transporter 1 (255 Activities)

Discover Target: Slc6a9

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 339.400 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 339.183 Da
• Monoisotopic Mass: 339.183 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 435.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1147011-84-4, the molecular formula is C21H25NO3, and the molecular weight is 339.4 g/mol. InChIKey UEBBYLJZCHTLEG-UTKZUKDTSA-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.