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 분자식: C₈H₁₅NO₃ 분자량: 173.21 EC 번호: 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

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of GABA B1;Antagonist of GABA B receptor

순수함

≥98%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

대체 CAS

160415-07-6,733717-87-8

PubChem CID

5311429

MeSH 용어

(+)-(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

분자량

173.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: 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
• 분자량: 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