1.1
Solvents:
Tetrahydrofuran
,
Water
;
40 min, -10 °C; -10 °C → 3 °C; 22 h, -8 °C
1.2
Solvents:
Ethanol
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- 915087-33-1
Enzalutamide | 915087-33-1
Nombre del producto：Enzalutamide
Número CAS：915087-33-1
MF：C21H16F4N4O2S
Megavatios：464.435956954956
MDL：MFCD14155804
Zona central de información：823198
Pubchem ID：15951529
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.
,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.
- 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
Atributos calculados
-
Calidad precisa: 464.4g/mol
-
Carga superficial: 0
-
XLogP3: 3.6
-
Recuento de donantes vinculados al hidrógeno: 1
-
Recuento de receptores de enlace de hidrógeno: 8
-
Cuenta de enlace giratorio: 3
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Masa isotópica única: 464.09301g/mol
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Masa isotópica única: 464.09301g/mol
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Superficie del Polo topológico: 109Ų
-
Recuento de átomos pesados: 32
-
Complejidad: 839
-
Recuento atómico isotópico: 0
-
Recuento del Centro estereoscópico atómico definido: 0
-
Recuento de centros estereoscópicos atómicos indefinidos: 0
-
Recuento de centros tridimensionales de bonos fijos: 0
-
Conteo indefinido de centros tridimensionales de Bond: 0
-
Recuento de unidades de unión covalente: 1
Propiedades experimentales
- Logp: 4.51338
- PSA: 108.53000
- Denso: 1.49
- Instrucciones de peligro：H302
- Declaración de advertencia：P280-P305+P351+P338
- Condiciones de almacenamiento：Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
- Palabra de señal：Warning
- Código HS：2933990090
- Datos Aduaneros：
China Customs Code:
2933990090Overview:
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%
Circuitos sintéticos 1
Condiciones de reacción
+ Expandir
Referencia
- An improved and practical route for the synthesis of enzalutamide and potential impurities study, Chinese Chemical Letters, 2017, 28(2), 426-430
- 1. Recent discoveries and developments of androgen receptor based therapy for prostate cancer R. Elancheran,V. L. Maruthanila,M. Ramanathan,S. Kabilan,R. Devi,A. Kunnumakara,Jibon Kotoky Med. Chem. Commun. 2015 6 746
- 2. Delivery of enzalutamide via nanoparticles for effectively inhibiting prostate cancer progression Ze Gao,Jun Huang,Zhaoxiang Xie,Peikun Xin,Hao Huang,Tao Du,Jun Wu,Hai Huang Biomater. Sci. 2022 10 5187
- 3. Retracted Article: NF-κB inhibition promotes apoptosis in androgen-independent prostate cancer cells by the photothermal effect via the IκBα/AR signaling pathway Chenfei Kong,Miao Hao,Xi Chen,Xiaoming Zhao,Yuqian Wang,Jing Li,Yiyao Gao,Hao Zhang,Bai Yang,Jinlan Jiang Biomater. Sci. 2019 7 2559
- 4. Multifunctional hydantoins: recent advances in optoelectronics and medicinal drugs from Academia to the chemical industry Pratiksha P. Gawas,Buthanapalli Ramakrishna,N. Veeraiah,Venkatramaiah Nutalapati J. Mater. Chem. C 2021 9 16341
- 5. Rational design and synthesis of novel phenylsulfonyl-benzamides as anti-prostate cancer agents Marcella Bassetto,Salvatore Ferla,Gilda Giancotti,Fabrizio Pertusati,Andrew D. Westwell,Andrea Brancale,Christopher McGuigan Med. Chem. Commun. 2017 8 1414
- 6. Rational design and synthesis of novel phenylsulfonyl-benzamides as anti-prostate cancer agents Marcella Bassetto,Salvatore Ferla,Gilda Giancotti,Fabrizio Pertusati,Andrew D. Westwell,Andrea Brancale,Christopher McGuigan Med. Chem. Commun. 2017 8 1414
- 7. PROTACs: past, present and future Ke Li,Craig M. Crews Chem. Soc. Rev. 2022 51 5214
- 8. Expression pattern of androgen receptors, AR-V7 and AR-567es, in circulating tumor cells and paired plasma-derived extracellular vesicles in metastatic castration resistant prostate cancer Areti Strati,Martha Zavridou,Evangelos Bournakis,Sophia Mastoraki,Evi Lianidou Analyst 2019 144 6671
- 9. The role of liquid biopsies in prostate cancer management Chi-Ju Kim,Liang Dong,Sarah R. Amend,Yoon-Kyoung Cho,Kenneth J. Pienta Lab Chip 2021 21 3263
- 10. Chemical modulation of transcription factors Bianca Wiedemann,J?rn Weisner,Daniel Rauh Med. Chem. Commun. 2018 9 1249
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Enzalutamide D3 Número CAS.: 1443331-82-5 -
Enzalutamide Carboxylic Acid Número CAS.: 1242137-15-0 -
N-Desmethyl Enzalutamide Número CAS.: 1242137-16-1 -
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