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  2. 915087-33-1
Enzalutamide | 915087-33-1

Productnaam:Enzalutamide

CAS-nummer:915087-33-1
MF:C21H16F4N4O2S
MW:464.435956954956
MDL:MFCD14155804
CID:823198
PubChem ID:15951529
Inleiding
Enzalutamide( enzalutamide) The chemical formula of the compound is4-[3-[4-Cyano group-3-(Trifluoromethyl)phenyl]-5,5-Dimethyl-4-Oxo-2-Thione-1-Imidazolyl]-2-fluorine-N-Methyl benzamide,Its clinical drugs are provided byMedivation Company and astellais( Astellas) Cooperative development of the company,to2012year8 month31 Nikkei US Food and Drug Administration( FDA) Approved for the treatment of advanced male castration tolerant prostate cancer that has spread or recurred( castration-resistant prostate cancer) ,merchantProduct NamebyXtandi
,The drug is an oral preparation.Enzalutamide(MDV 3100)Is an androgen receptor antagonist,It blocks androgen binding to androgen receptors and prevents ligand - Nuclear translocation and coactivator recruitment of receptor complexes. MDV 3100It has also been shown to induce tumor cell apoptosis,And no agonist activity. MDV 3100Are candidates for the treatment of castration resistant prostate cancer.
Naam en identificatie
  • Enzalutamide(MDV-3100)
  • [14C]-Enzalutamide
  • N-methyl-4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]-2-fluorobenzamide
  • 4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide
  • Enzalutamide
  • MDV 3100
  • 4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluoro-N-methylbenzamide
  • Enzalutamide (MDV3100)
  • Enzalutamide(MDV3100,Xtandi®)
  • MDV-3100
  • UNII-93T0T9GKNU
  • XTANDI
  • 4-[3-[4-Cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxo-1-imidazolidinyl]-2-fluoro-N-methylbenzamide (ACI)
  • S-Enzalutamide
  • Xtandi
  • MDL:MFCD14155804
  • InChIKey:WXCXUHSOUPDCQV-UHFFFAOYSA-N
  • Inchi:1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30)
  • SMILES:N#CC1C(C(F)(F)F)=CC(N2C(=S)N(C3C=C(F)C(C(NC)=O)=CC=3)C(C)(C)C2=O)=CC=1
Chemische en fysische eigenschappen

Berekende eigenschappen

  • Exacte massa: 464.4g/mol
  • Oppervlakte lading: 0
  • XLogP3: 3.6
  • Aantal waterstofbonddonors: 1
  • Aantal waterstofbondacceptatoren: 8
  • Aantal draaibare bindingen: 3
  • Monoisotopische massa: 464.09301g/mol
  • Monoisotopische massa: 464.09301g/mol
  • Topologisch pooloppervlak: 109Ų
  • Zware atoomtelling: 32
  • Complexiteit: 839
  • Aantal isotopen atomen: 0
  • Gedefinieerd atoomstereocentrumaantal: 0
  • Ongedefinieerd atoomstereocentrumaantal: 0
  • Gedefinieerd stereocenter aantal obligaties: 0
  • Ongedefinieerd stereocenter aantal bindingen: 0
  • Aantal covalent gebonden eenheden: 1

Experimentele eigenschappen

  • LogboekP: 4.51338
  • PSA: 108.53000
  • Dichtheid: 1.49
Beveiligingsinformatie
  • Gevaarverklaring:H302
  • Waarschuwingsverklaring:P280-P305+P351+P338
  • Opslagvoorwaarde:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • Signaalwoord:Warning
Douanegegevens
  • HS-CODE:2933990090
  • Douanegegevens:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synthetisch circuit

Synthetisch circuit 1

Reactievoorwaarden
1.1 Solvents: Tetrahydrofuran ,  Water ;  40 min, -10 °C; -10 °C → 3 °C; 22 h, -8 °C
1.2 Solvents: Ethanol
Referentie
An improved and practical route for the synthesis of enzalutamide and potential impurities study
Zhou, Ai-Nan; et al, Chinese Chemical Letters, 2017, 28(2), 426-430
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