Dexmecamylamine , Neuronal acetylcholine receptor; alpha4/beta2 antagonist, CAS No.107538-05-6, Neuronal acetylcholine receptor; alpha4/beta2 antagonist

CAS: 107538-05-6 Cat. No.: D669182 Fórmula: C₁₁H₂₁N Peso molecular: 167.29 PubChem CID: 12358972

Synonyms

DEXMECAMYLAMINE|Mecamylamine [MI]|Mecamylamine [INN]|Mecamylamine [VANDF]|Mecamylamine [WHO-DD]|(+)-Mecamylamine|Dexmecamylamine [USAN]|N,2,3,3-tetramethyl-2-norbornanamine|Mecamylamine [INN:WHO-DD]|Dexmecamylamine (USAN)|(1RS,2SR,4SR)-N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine|(1R,2S,4S)-N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine|(1R,2S,4S)-N,2,3,3-TETRAMETHYLBICYCLO[2.2.1]HEPTAN-2-AMINE|Dexmecamylamine [USAN:INN]|TC 5214|DEXMECAMYLAMINE [INN]|DEXMECAMYLAMINE [WHO-DD]|Bicyclo(2.2.1)heptan-2-amine, N,2,3,3-tetramethyl-, (1R,2S,4S)-

Storage

Room temperature

Especificações

Sinónimos

DEXMECAMYLAMINE | Mecamylamine [MI] | Mecamylamine [INN] | Mecamylamine [VANDF] | Mecamylamine [WHO-DD] | (+)-Mecamylamine | Dexmecamylamine [USAN] | N,2,3,3-tetramethyl-2-norbornanamine | Mecamylamine [INN:WHO-DD] | Dexmecamylamine (USAN) | (1RS,2SR,4SR)-N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine | (1R,2S,4S)-N,2,3,3-Tetramethylbicy Show more

Condições de armazenamento de armazenamento

Room temperature

Tipo de ação

ANTAGONIST

Mecanismo de ação

Neuronal acetylcholine receptor; alpha4/beta2 antagonist

Propriedades do produto

ALogP

2.6

Nomes e identificadores

Sorrisos canónicos

CC1(C2CCC(C2)C1(C)NC)C

IUPAC Name

(1R,2S,4S)-N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

InChIKey

IMYZQPCYWPFTAG-NGZCFLSTSA-N

INCHI

1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11-/m0/s1

SMILES isoméricas

C[C@@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC

PubChem CID

12358972

Peso molecular

167.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)

Discover Target: CHRNA7

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

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

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

CHRNA1 Tclin Acetylcholine receptor; alpha1/beta1/delta/gamma (501 Activities)

Discover Target: CHRNA1

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

CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 167.290 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.167 Da
• Monoisotopic Mass: 167.167 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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