CYM 50769 - ≥98%(HPLC) , CAS No.1421365-63-0

CAS: 1421365-63-0 Cat. No.: C288745 Formule: C₂₄H₁₇ClN₂O₃ Poids moléculaire: 416.86 Numéro CE: 808-877-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

CYM50769 | CYM-50769 | 5-Chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)-3(2H)-pyridazinone | 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3(2H)-one | AS-16622 | CYM50769 (ML250) | MLS003675924 | NCGC00379237-04 | SR-02000001098 | 1421365-63

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

CYM50769 | CYM-50769 | 5-Chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)-3(2H)-pyridazinone | 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3(2H)-one | AS-16622 | CYM50769 (ML250) | MLS003675924 | NCGC00379237-04 | SR-02000001098 | 1421365-63

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Novel non-peptide antagonist of neuropeptide W/B receptor 1 (NPBWR1, GPR7) (IC50= 0.12μM).

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.

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504770966
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770966
• Sourires canoniques: COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl
• IUPAC Name: 5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
• InChIKey: QHVSQUYCVUHYKT-UHFFFAOYSA-N
• INCHI: 1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
• Isomères SMILES: COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl
• WGK Allemagne: 3
• Poids moléculaire: 416.86
• Reaxy-Rn: 23198195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23198195&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Diarylethers Phenoxy compounds Methoxybenzenes Anisoles Pyridazinones Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Diaryl ether - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridazinone - Aryl halide - Monocyclic benzene moiety - Pyridazine - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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)

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

U2OS (164939 Activities)

Explore this target

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

NPBWR1 Tchem Neuropeptides B/W receptor type 1 (709 Activities)

Discover Target: NPBWR1

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 41.69, Max Conc. mM: 100
• Poids moléculaire: 416.900 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 416.093 Da
• Monoisotopic Mass: 416.093 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 693.000
• 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