Fedovapagon - ≥98% , CAS No.347887-36-9

CAS: 347887-36-9 Cat. No.: F648207 Summenformel: C₂₇H₃₄N₄O₃ Molekulargewicht: 462.58 EG-Nummer: 680-253-7 PubChem CID: 10298385

GRADE & PURITY ≥98%

Synonyms

UNII-VX2GBO4I0V | FEDOVAPAGON [WHO-DD] | XNA88736 | (S)-N2,N2-dimethyl-N1-(2-methyl-4-(2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)benzyl)pyrrolidine-1,2-dicarboxamide | DB11734 | SCHEMBL2547119 | DTXSID40188331 | E74592 | AKOS040741722 | Fedovapagon

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Fedovapagon (VA106483) is a selective and orally active Vasotocin V2 receptor (V2R) agonist with an EC 50 of 24 nM. Fedovapagon can be used in the research of nocturia

In Vivo

Fedovapagon (1 mg/kg, oral administration) inhibits urine output with 81% inhibition rate in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Brattleboro rats Dosage: 1 mg/kg, 3 mg/kg Administration: Oral administration Result: Reduced urine volume with almost full inhibition of urine output for 2 h. Returned the urine to normal levels 5 h after dosing.

Form:Solid

IC50& Target:V2 Receptor V2 Receptor 24 nM (EC 50 )

Specifications

Synonyme

UNII-VX2GBO4I0V | FEDOVAPAGON [WHO-DD] | XNA88736 | (S)-N2,N2-dimethyl-N1-(2-methyl-4-(2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)benzyl)pyrrolidine-1,2-dicarboxamide | DB11734 | SCHEMBL2547119 | DTXSID40188331 | E74592 | AKOS040741722 | Fedovapagon

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Fedovapagon (VA106483) is a selective and orally active Vasotocin V2 receptor (V2R) agonist with an EC 50 of 24 nM. Fedovapagon can be used in the research of nocturia.

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

AGONIST

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528764501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528764501
• Kanonisches Lächeln: CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCCC4C(=O)N(C)C
• IUPAC Name: (2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
• InChIKey: RUOLFWZIFNQQGH-DEOSSOPVSA-N
• INCHI: 1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
• Isomere SMILES: CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCC[C@H]4C(=O)N(C)C
• PubChem CID: 10298385
• Molekulargewicht: 462.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Alpha amino acid amides Benzazepines m-Toluamides Benzamides Pyrrolidinecarboxamides Benzoyl derivatives Azepines Tertiary carboxylic acid amides Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Proline or derivatives - Alpha-amino acid amide - Benzazepine - Benzamide - M-toluamide - Toluamide - Benzoic acid or derivatives - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine-1-carboxamide - Toluene - Azepine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Urea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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)

AVPR2 Tclin Vasopressin V2 receptor (1 Activities)

Discover Target: AVPR2

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

AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)

Discover Target: AVPR2

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

OXTR Tclin Oxytocin receptor (1962 Activities)

Discover Target: OXTR

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

AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)

Discover Target: AVPR1A

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

AVPR1B Tclin Vasopressin V1b receptor (1301 Activities)

Discover Target: AVPR1B

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 125 mg/mL (270.22 mM)
• Molekulargewicht: 462.600 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 462.263 Da
• Monoisotopic Mass: 462.263 Da
• Topological Polar Surface Area: 73.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 741.000
• 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