Org 25543 - Moligand™ , Inhibitor of GlyT2, CAS No.363628-88-0, Inhibitor of GlyT2

CAS: 363628-88-0 Cat. No.: O612549 Número CE: 983-940-2 PubChem CID: 5311287

GRADE & PURITY Moligand™

Synonyms

4-Benzyloxy-3,5-Dimethoxy-N-[(1-Dimethylaminocyclopentyl)Methyl]Benzamide | SCHEMBL5017542 | 4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-3,5-dimethoxy-benzamide | 4-benzyloxy-N-(1-dimethylaminocyclopentylmethyl)-3,5-dimethoxybenzamide | AKOS00695782

Storage

Room temperature

Specifications

Sinónimos

4-Benzyloxy-3,5-Dimethoxy-N-[(1-Dimethylaminocyclopentyl)Methyl]Benzamide | SCHEMBL5017542 | 4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-3,5-dimethoxy-benzamide | 4-benzyloxy-N-(1-dimethylaminocyclopentylmethyl)-3,5-dimethoxybenzamide | AKOS00695782

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of GlyT2

Nomes e identificadores

Sorrisos canónicos

COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C

IUPAC Name

4-(benzyloxy)-N-{[1-(dimethylamino)cyclopentyl]methyl}-3,5-dimethoxybenzamide

InChIKey

ZCYOBMASPXQBSZ-UHFFFAOYSA-N

INCHI

1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)

SMILES isoméricas

CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC

PubChem CID

5311287

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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

Alvos associados (humanos)

SLC6A5 Tchem Sodium- and chloride-dependent glycine transporter 2 (6 Activities)

Discover Target: SLC6A5

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

SLC6A5 Tchem Glycine transporter 2 (697 Activities)

Discover Target: SLC6A5

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

Alvos associados (não 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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 412.500 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 412.236 Da
• Monoisotopic Mass: 412.236 Da
• Topological Polar Surface Area: 60.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Perguntas frequentes

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 363628-88-0. InChIKey ZCYOBMASPXQBSZ-UHFFFAOYSA-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.