+1 858-523-8231
Login | Register
menu
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
155180-53-3,MFCD00925775
Catalog No.:AA001NM5

155180-53-3 | 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
97%
in stock  
$1,106.00   $774.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001NM5
Chemical Name:
4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CAS Number:
155180-53-3
Molecular Formula:
C17H18F3N3O2S
Molecular Weight:
385.4039
MDL Number:
MFCD00925775
SMILES:
OCCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Properties
Properties
 
BP:
499.6°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
614  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:RousselUclaf-US35956,1998,E1

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1Locationinpatent:Page/Pagecolumn110

[2]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1Locationinpatent:Page/Pagecolumn96

[3]Gustafson,JeffreyL.;Neklesa,TaaviK.;Cox,CarlyS.;Roth,AnkeG.;Buckley,DennisL.;Tae,HyunSeop;Sundberg,ThomasB.;Stagg,D.Blake;Hines,John;McDonnell,DonaldP.;Norris,JohnD.;Crews,CraigM.[AngewandteChemie-InternationalEdition,2015,vol.54,#33,p.9659-9662][Angew.Chem.,2015,vol.127,p.9795-9798]

[4]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1Locationinpatent:Paragraph0409;0455

[5]Barrett,RyanR.G.;Nash,Claire;Diennet,Marine;Cotnoir-White,David;Doyle,Christopher;Mader,Sylvie;Thomson,AxelA.;Gleason,JamesL.[BioorganicandMedicinalChemistryLetters,2022,vol.55]

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

[2]Gustafson,JeffreyL.;Neklesa,TaaviK.;Cox,CarlyS.;Roth,AnkeG.;Buckley,DennisL.;Tae,HyunSeop;Sundberg,ThomasB.;Stagg,D.Blake;Hines,John;McDonnell,DonaldP.;Norris,JohnD.;Crews,CraigM.[AngewandteChemie-InternationalEdition,2015,vol.54,#33,p.9659-9662][Angew.Chem.,2015,vol.127,p.9795-9798]

[3]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

[2]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1

Literature

Title: Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC).

Journal: Journal of medicinal chemistry 20100408

Title: Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain.

Journal: Journal of medicinal chemistry 20050224

Title: Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands.

Journal: Bioorganic & medicinal chemistry letters 20041101

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
Submit
SDS
Related Products of 155180-53-3
155180-53-3

155180-53-3
Building Blocks
More >
Tags:155180-53-3 Molecular Formula|155180-53-3 MDL|155180-53-3 SMILES|155180-53-3 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Catalog No.: AA001NM5
155180-53-3,MFCD00925775
155180-53-3 | 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Pack Size： 50mg
Purity： 97%
in stock
$1,106.00 $774.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001NM5
Chemical Name: 4-[3-(4-Hydroxybutyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CAS Number: 155180-53-3
Molecular Formula: C17H18F3N3O2S
Molecular Weight: 385.4039
MDL Number: MFCD00925775
SMILES: OCCCCN1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
Properties
BP: 499.6°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 614  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
155109-08-3    155180-53-3 

[1]CurrentPatentAssignee:RousselUclaf-US35956,1998,E1

155180-53-3    1489236-88-5 

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

155180-53-3    1108180-97-7 

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1Locationinpatent:Page/Pagecolumn110

[2]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1Locationinpatent:Page/Pagecolumn96

[3]Gustafson,JeffreyL.;Neklesa,TaaviK.;Cox,CarlyS.;Roth,AnkeG.;Buckley,DennisL.;Tae,HyunSeop;Sundberg,ThomasB.;Stagg,D.Blake;Hines,John;McDonnell,DonaldP.;Norris,JohnD.;Crews,CraigM.[AngewandteChemie-InternationalEdition,2015,vol.54,#33,p.9659-9662][Angew.Chem.,2015,vol.127,p.9795-9798]

[4]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1Locationinpatent:Paragraph0409;0455

[5]Barrett,RyanR.G.;Nash,Claire;Diennet,Marine;Cotnoir-White,David;Doyle,Christopher;Mader,Sylvie;Thomson,AxelA.;Gleason,JamesL.[BioorganicandMedicinalChemistryLetters,2022,vol.55]

155180-53-3    1489236-55-6 

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

[2]Gustafson,JeffreyL.;Neklesa,TaaviK.;Cox,CarlyS.;Roth,AnkeG.;Buckley,DennisL.;Tae,HyunSeop;Sundberg,ThomasB.;Stagg,D.Blake;Hines,John;McDonnell,DonaldP.;Norris,JohnD.;Crews,CraigM.[AngewandteChemie-InternationalEdition,2015,vol.54,#33,p.9659-9662][Angew.Chem.,2015,vol.127,p.9795-9798]

[3]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1

155180-53-3    1489236-56-7 

[1]CurrentPatentAssignee:YALEUNIVERSITY-WO2013/170147,2013,A1

[2]CurrentPatentAssignee:YALEUNIVERSITY-US2016/22642,2016,A1

Literature fold

Title: Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC).

Journal: Journal of medicinal chemistry20100408

Title: Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain.

Journal: Journal of medicinal chemistry20050224

Title: Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands.

Journal: Bioorganic & medicinal chemistry letters20041101

Related Products of of 155180-53-3
155180-53-3
155180-53-3
Building Blocks More >
155542-33-9
155542-33-9
Boc-D-Asp(OtBu)-OH
AA001NXF | MFCD01861313
15593-49-4
15593-49-4
Peroxydiphosphoric acid ([(HO)2P(O)]2O2), potassium salt (1:4)
AA001OAD | MFCD00192415
1564-49-4
1564-49-4
Ethyl 1-methyl-5-nitro-1h-imidazole-2-carboxylate
AA001ON9 | MFCD03789116
156817-73-1
156817-73-1
2,3-Dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
AA001OYM | MFCD27922699
15721-02-5
15721-02-5
2,2',5,5'-Tetrachlorobenzidine
AA001P8G | MFCD00043918
15761-83-8
15761-83-8
5-Phenyl-1h-pyrimidine-2,4-dione
AA001PHY | MFCD06801865
158001-21-9
158001-21-9
1-Cyclobutylhydrazine, HCl
AA001PSY | MFCD06658415
15840-96-7
15840-96-7
Cyclohexyl cyclohexanecarboxylate
AA001Q3J | MFCD20528371
15905-32-5
15905-32-5
Erythrosin b
AA001QDA | MFCD00005044
1587-21-9
1587-21-9
Citric acid tri-n-propyl ester
AA001QOX | MFCD00059407
Submit
© 2017 AA BLOCKS, INC. All rights reserved.