alemcinal - Moligand™ , Agonist of motilin receptor, CAS No.150785-53-8, Agonist of motilin receptor

CAS: 150785-53-8 Cat. No.: A607501 PubChem CID: 9918079

GRADE & PURITY Moligand™

Synonyms

AKOS040750313 | Alemcinal (USAN/INN) | Alemcinal [USAN:INN] | ABT 229 | Alemcinal | (2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]ox

Storage

Room temperature

Specifications

Synonyme

AKOS040750313 | Alemcinal (USAN/INN) | Alemcinal [USAN:INN] | ABT 229 | Alemcinal | (2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]ox

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of motilin receptor

Namen und Kennungen

• Kanonisches Lächeln: CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C
• IUPAC Name: (1R,2R,3S,4S,5R,8R,9R,10S,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
• InChIKey: IWTSXJNGTTXMFK-KTQUSEMZSA-N
• INCHI: 1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
• Isomere SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)C
• PubChem CID: 9918079

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Aminosaccharides
          • Ebene6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Oxanes Dihydrofurans 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Trialkylamines Lactones Secondary alcohols Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Aminoglycoside core - Oxane - Dihydrofuran - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organopnictogen compound - Alcohol - Carbonyl group - Organic oxide - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• 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)

MLNR Tchem Motilin receptor (1 Activities)

Discover Target: MLNR

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

Zugehörige Ziele (nicht menschlich)

Canis familiaris (36305 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 697.900 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 697.476 Da
• Monoisotopic Mass: 697.476 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 1150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• 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

Häufig gestellte Fragen

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 150785-53-8. InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-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.