ulimorelin - Moligand™ , CAS No.842131-33-3

CAS: 842131-33-3 Cat. No.: U614655 PubChem CID: 11526696

GRADE & PURITY Moligand™

Synonyms

HY-14903 | Ulimorelin | ULIMORELIN [MI] | 2H-1,4,7,10,13-BENZOXATETRAAZACYCLOOCTADECINE-6,9,12(3H)-TRIONE, 5-CYCLOPROPYL-11- ((4-FLUOROPHENYL)METHYL)-4,5,7,8,10,11,13,14,15,16-DECAHYDRO-2,7,8-TRIMETHYL-, (2R,5S,8R,11R)- | DB12128 | GTPL3535 | Ulimorelin (

Storage

Room temperature

Specifications

Synonyme

HY-14903 | Ulimorelin | ULIMORELIN [MI] | 2H-1,4,7,10,13-BENZOXATETRAAZACYCLOOCTADECINE-6,9,12(3H)-TRIONE, 5-CYCLOPROPYL-11- ((4-FLUOROPHENYL)METHYL)-4,5,7,8,10,11,13,14,15,16-DECAHYDRO-2,7,8-TRIMETHYL-, (2R,5S,8R,11R)- | DB12128 | GTPL3535 | Ulimorelin (

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F
• IUPAC Name: (3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
• InChIKey: WGYPAJVJMXQXTR-ABNZCKJZSA-N
• INCHI: 1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
• Isomere SMILES: C[C@@H]1CN[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2O1)CC3=CC=C(C=C3)F)C)C)C4CC4
• PubChem CID: 11526696

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Macrolactams Alpha amino acids and derivatives Fluorobenzenes Alkyl aryl ethers Aryl fluorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Macrolactam - Alpha-amino acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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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GHSR Tclin Growth hormone secretagogue receptor type 1 (5 Activities)

Discover Target: GHSR

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 538.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 538.296 Da
• Monoisotopic Mass: 538.296 Da
• Topological Polar Surface Area: 99.800 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 832.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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 842131-33-3. InChIKey WGYPAJVJMXQXTR-ABNZCKJZSA-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.