SCH 50911 - Moligand™, ≥98% , Antagonist of GABA B1;Antagonist of GABA B receptor, CAS No.733717-87-8, Antagonist of GABA B1;Antagonist of GABA B receptor

CAS: 733717-87-8 Cat. No.: S287138 Summenformel: C₈H₁₅NO₃ Molekulargewicht: 173.21 EG-Nummer: 803-106-2 PubChem CID: 5311429

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID0045670 | HY-12783A | (S)-2-(5,5-Dimethylmorpholin-2-yl)acetic acid | 2-Morpholineaceticacid,5,5-dimethyl-,hydrochloride(1:1),(2S)- | MFCD05662362 | 3H-benzofurano[3,2-d]pyrimid-4-one | AKOS006281395 | SCHEMBL340881 | DTXSID701336120 | SCH 50911 (hy

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

DTXSID0045670 | HY-12783A | (S)-2-(5,5-Dimethylmorpholin-2-yl)acetic acid | 2-Morpholineaceticacid,5,5-dimethyl-,hydrochloride(1:1),(2S)- | MFCD05662362 | 3H-benzofurano[3,2-d]pyrimid-4-one | AKOS006281395 | SCHEMBL340881 | DTXSID701336120 | SCH 50911 (hy

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

A selective, competitive and orally active GABABantagonist. Displays an IC50of 1.1μM at GABAB, approximately 60 times that ofCGP 35348 and no binding affinity for GABAAat concentrations up to 100μM.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of GABA B1;Antagonist of GABA B receptor

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1(COC(CN1)CC(=O)O)C
• IUPAC Name: 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
• InChIKey: SEYCKMQSPUVYEF-LURJTMIESA-N
• INCHI: 1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
• Isomere SMILES: CC1(CO[C@H](CN1)CC(=O)O)C
• Alternative CAS-Nummer: 160415-07-6,733717-87-8
• PubChem CID: 5311429
• MeSH-Eintrag: (+)-(S)-5,5-dimethylmorpholinyl-2-acetic acid;2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2R)-;2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2S)-;5,5-dimethyl-2-morpholineacetic acid hydrochloride;SCH 50910;SCH 50911;SCH-50910;SCH-50
• Molekulargewicht: 173.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Oxacycle - Azacycle - Secondary amine - Ether - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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)

KCTD8 Tbio BTB/POZ domain-containing protein KCTD8 (0 Activities)

Discover Target: KCTD8

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

GABBR2 Tclin Gamma-aminobutyric acid type B receptor subunit 2 (0 Activities)

Discover Target: GABBR2

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

GABBR1 Tclin Gamma-aminobutyric acid type B receptor subunit 1 (1 Activities)

Discover Target: GABBR1

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

KCTD12 Tchem BTB/POZ domain-containing protein KCTD12 (0 Activities)

Discover Target: KCTD12

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

KCTD16 Tbio BTB/POZ domain-containing protein KCTD16 (0 Activities)

Discover Target: KCTD16

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 17.32, Max Conc. mM: 100; Solvent:phosphate buffered saline, Max Conc. mg/mL: 17.32, Max Conc. mM: 100
• Molekulargewicht: 173.210 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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