PCO371 - Moligand™,≥98% , CAS No.1613373-33-3

CAS: 1613373-33-3 Cat. No.: P650805 Formule: C₂₉H₃₂F₃N₅O₆S Poids moléculaire: 635.65 PubChem CID: 76283707

GRADE & PURITY Moligand™, ≥98%

Synonyms

EX-A2839 | DB14946 | HY-100856 | BCP31012 | SB19668 | MS-30887 | AKOS040742371 | UNII-TE53TU0WSQ | SCHEMBL17104864 | PCO371 | PCO-371 | GTPL12788 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | PC-0371 | BDBM64562 | US9428505, Compound 7 | AC-31576 | 2,4-Imidazolidinedio

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

EX-A2839 | DB14946 | HY-100856 | BCP31012 | SB19668 | MS-30887 | AKOS040742371 | UNII-TE53TU0WSQ | SCHEMBL17104864 | PCO371 | PCO-371 | GTPL12788 | LDZJFVOUPUFOHX-UHFFFAOYSA-N | PC-0371 | BDBM64562 | US9428505, Compound 7 | AC-31576 | 2,4-Imidazolidinedio

Spécifications et pureté

Moligand™,≥98%

Mécanismes biochimiques et physiologiques

PCO371 is an agonist of parathyroid hormone receptor 1 (PTHR1) and has no effect on PTH type 2 receptors.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC1=CC(=CC(=C1CCS(=O)(=O)N2CCC3(CC2)C(=O)NC(=N3)C4=CC=C(C=C4)OC(F)(F)F)C)N5C(=O)NC(=O)C5(C)C
• IUPAC Name: 1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-5,5-dimethylimidazolidine-2,4-dione
• InChIKey: LDZJFVOUPUFOHX-UHFFFAOYSA-N
• INCHI: 1S/C29H32F3N5O6S/c1-17-15-20(37-26(40)34-24(38)27(37,3)4)16-18(2)22(17)9-14-44(41,42)36-12-10-28(11-13-36)25(39)33-23(35-28)19-5-7-21(8-6-19)43-29(30,31)32/h5-8,15-16H,9-14H2,1-4H3,(H,33,35,39)(H,34,38,40)
• Isomères SMILES: CC1=CC(=CC(=C1CCS(=O)(=O)N2CCC3(CC2)C(=O)NC(=N3)C4=CC=C(C=C4)OC(F)(F)F)C)N5C(=O)NC(=O)C5(C)C
• CAS alternatif: 1613373-33-3
• PubChem CID: 76283707
• Termes d'entrée MeSH: 1-(3,5-dimethyl-4-(2-((4-oxo-2-(4-(trifluoromethoxy)phenyl)-1,3,8-triazaspiro(4.5)dec-1-en-8-yl) sulfonyl)ethyl)phenyl)-5,5-dimethylimidazolidine-2,4-dione;PCO371
• Poids moléculaire: 635.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins
              • Level8 Phenylhydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones - Hydantoins
• Direct Parent: Phenylhydantoins
• Alternative Parents: Phenylimidazolidines Azaspirodecane derivatives Alpha amino acids and derivatives m-Xylenes Phenoxy compounds Phenol ethers N-acyl ureas Piperidines Organosulfonamides Organic sulfonamides Imidazolinones Sulfonyls Dicarboximides Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylhydantoin - Phenylimidazolidine - Azaspirodecane - Alpha-amino acid or derivatives - Phenoxy compound - M-xylene - Xylene - Phenol ether - Ureide - N-acyl urea - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Piperidine - Imidazolinone - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 2-imidazoline - Dicarboximide - Trihalomethane - Urea - Carbonic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.
• 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

Cibles associées (humaines)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (157.32 mM; Need ultrasonic)
• Poids moléculaire: 635.700 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 635.203 Da
• Monoisotopic Mass: 635.203 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1270.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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