SCH 50911 - Moligand™ , Antagonist of GABA B1;Antagonist of GABA B receptor, CAS No.160415-07-6, Antagonist of GABA B1;Antagonist of GABA B receptor

CAS: 160415-07-6 Cat. No.: S613492 EG-Nummer: 803-106-2 PubChem CID: 10130513

QUALITÄT & REINHEIT Moligand™

Synonyms

(2S)-(+)-5,5-Dimethyl-2-morpholineacetic acid|SCH 50911 (hydrochloride)|SCH 50911 hydrochloride|(S)-2-(5,5-Dimethylmorpholin-2-yl)acetic acid hydrochloride|2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride|2-Morpholineacetic acid,5,5-dimethyl-,HCl,(2S)-|2-MORPHOLINEACETIC ACID, 5,5-DIMETHYL-, HYDROCHLORIDE (1:1), (2S)-|2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2S)-

Storage

Room temperature

Spezifikationen

Synonyme

(2S)-(+)-5,5-Dimethyl-2-morpholineacetic acid | SCH 50911 (hydrochloride) | SCH 50911 hydrochloride | (S)-2-(5,5-Dimethylmorpholin-2-yl)acetic acid hydrochloride | 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride | 2-Morpholineacetic acid,5,5-dimethyl-,HCl,(2S)- | 2-MORPHOLINEACETIC ACID, 5,5-DIMETHYL-, HYDROCHLORIDE (1:1), (2 Show more

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of GABA B1;Antagonist of GABA B receptor

Namen und Kennungen

Kanonisches Lächeln

CC1(COC(CN1)CC(=O)O)C.Cl

IUPAC Name

2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid;hydrochloride

InChIKey

QYYBBASPKHNBKA-RGMNGODLSA-N

INCHI

1S/C8H15NO3.ClH/c1-8(2)5-12-6(4-9-8)3-7(10)11;/h6,9H,3-5H2,1-2H3,(H,10,11);1H/t6-;/m0./s1

Isomere SMILES

CC1(CO[C@H](CN1)CC(=O)O)C.Cl

Alternative CAS-Nummer

160415-07-6

PubChem CID

10130513

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

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 Organic oxides Hydrochlorides 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 - Ether - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Oxacycle - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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

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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

• Molekulargewicht: 209.670 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.082 Da
• Monoisotopic Mass: 209.082 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 13
• 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: 2

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