sabcomeline - Moligand™ , Agonist of M 1 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor, CAS No.159912-53-5, Agonist of M 1 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor

CAS: 159912-53-5 Cat. No.: S613389 PubChem CID: 9577995

GRADE & PURITY Moligand™

Synonyms

SCHEMBL3838658 | P8P92V596C | (R)-3-QUINUCLIDINEGLYOXYLONITRILE (Z)-O-METHYLOXIME | (R)-3-quinuclidineglyoxylonitrile-(Z)-(O)-methyloxime | sb202026 | SB-202026 | SABCOMELINE [INN] | alpha-(methylimino)-1-azabicyclo(2.2.2)octane-3-acetonitrile | Sabcomeli

Storage

Room temperature

Specifications

同義語

SCHEMBL3838658 | P8P92V596C | (R)-3-QUINUCLIDINEGLYOXYLONITRILE (Z)-O-METHYLOXIME | (R)-3-quinuclidineglyoxylonitrile-(Z)-(O)-methyloxime | sb202026 | SB-202026 | SABCOMELINE [INN] | alpha-(methylimino)-1-azabicyclo(2.2.2)octane-3-acetonitrile | Sabcomeli

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of M 1 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor

名前と識別子

• カノニカル・スマイル: CO/N=C(/[C@H]1CN2CCC1CC2)\C#N
• IUPAC Name: (Z,3R)-1-azabicyclo[2.2.2]oct-3-carbonimidoyl cyanide
• InChIKey: IQWCBYSUUOFOMF-QTLFRQQHSA-N
• INCHI: 1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
• 異性体SMILES: CO/N=C(\C#N)/[C@H]1CN2CCC1CC2
• PubChem CID: 9577995

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Piperidines Trialkylamines Oxime ethers Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinuclidine - Piperidine - Oxime ether - Tertiary aliphatic amine - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Amine - Hydrocarbon derivative - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• 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

関連ターゲット（人間）

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (1 Activities)

Discover Target: CHRM5

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

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (2 Activities)

Discover Target: CHRM3

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (3 Activities)

Discover Target: CHRM4

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

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (2 Activities)

Discover Target: CHRM1

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

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 Activities)

Discover Target: CHRM4

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

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

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

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 193.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.122 Da
• Monoisotopic Mass: 193.122 Da
• Topological Polar Surface Area: 48.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159912-53-5. InChIKey IQWCBYSUUOFOMF-QTLFRQQHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.