TCS OX2 29 - Moligand™, 10mM in DMSO , Antagonist of OX 2 receptor, CAS No.372523-75-6, Antagonist of OX 2 receptor

CAS: 372523-75-6 Cat. No.: T423676 Summenformel: C₂₃H₃₁N₃O₃ Molekulargewicht: 397.5 PubChem CID: 10408514

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

TCS-OX2-29|372523-75-6|TCS OX2 29|CID 10408514|CHEMBL142009|(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one|(S)-1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethyl-2-((pyridin-4-ylmethy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyme

TCS-OX2-29 | 372523-75-6 | TCS OX2 29 | CID 10408514 | CHEMBL142009 | (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one | (S)-1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethyl-2-((pyridin-4-ylmethy

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

TCS OX2 29 or TCS-OX2-29 is a potent and selective orexin 2 receptor (Ox2R, Ox2-R, Ox-2-R) antagonist (IC50 = 40 nM/Ox2R, >10 μM/Ox1R) with little potency toward 50 other receptors, ion channels, and transporters tested (<30% inhibition at 10 μM). TCS OX2

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of OX 2 receptor

Namen und Kennungen

• Pubchem Sid: 528767379
• Kanonisches Lächeln: CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3
• IUPAC Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one
• InChIKey: COFVZFLCAOUMJT-OAQYLSRUSA-N
• INCHI: 1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1
• Isomere SMILES: CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CC=NC=C3
• PubChem CID: 10408514
• Molekulargewicht: 397.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Valine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Valine and derivatives
• Alternative Parents: Alpha amino acid amides Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Valine or derivatives - Alpha-amino acid amide - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Zugehörige Ziele (menschlich)

HCRTR2 Tclin Orexin receptor type 2 (3 Activities)

Discover Target: HCRTR2

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

HCRTR1 Tclin Orexin receptor 1 (5435 Activities)

Discover Target: HCRTR1

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

HCRTR2 Tclin Orexin receptor 2 (5902 Activities)

Discover Target: HCRTR2

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 397.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 397.237 Da
• Monoisotopic Mass: 397.237 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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