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566939-85-3,MFCD20528078
Catalog No.:AA00ECBN

566939-85-3 | Orteronel

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$44.00   $31.00
- +
5mg
98%
in stock  
$107.00   $75.00
- +
25mg
98%
in stock  
$270.00   $189.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ECBN
Chemical Name:
Orteronel
CAS Number:
566939-85-3
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
MDL Number:
MFCD20528078
SMILES:
CNC(=O)c1ccc2c(c1)ccc(c2)[C@@]1(O)CCn2c1cnc2
Properties
Computed Properties
 
Complexity:
471  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route

[1]Ruchelman,AlexanderL.;Man,Hon-Wah;Chen,Roger;Liu,Wei;Lu,Ling;Cedzik,Dorota;Zhang,Ling;Leisten,Jim;Collette,Alice;Narla,RamaKrishna;Raymon,HeatherK.;Muller,GeorgeW.[BioorganicandMedicinalChemistry,2011,vol.19,#21,p.6356-6374]

[1]Ruchelman,AlexanderL.;Man,Hon-Wah;Chen,Roger;Liu,Wei;Lu,Ling;Cedzik,Dorota;Zhang,Ling;Leisten,Jim;Collette,Alice;Narla,RamaKrishna;Raymon,HeatherK.;Muller,GeorgeW.[BioorganicandMedicinalChemistry,2011,vol.19,#21,p.6356-6374]

[1]BioorganicandMedicinalChemistry,2011,vol.19,p.6356-6374

[2]Patent:WO2012/173280,2012,A1

[3]Patent:WO2012/173280,2012,A1

[4]Patent:WO2012/173280,2012,A1

[1]BioorganicandMedicinalChemistry,2011,vol.19,p.6356-6374

[1]Ruchelman,AlexanderL.;Man,Hon-Wah;Chen,Roger;Liu,Wei;Lu,Ling;Cedzik,Dorota;Zhang,Ling;Leisten,Jim;Collette,Alice;Narla,RamaKrishna;Raymon,HeatherK.;Muller,GeorgeW.[BioorganicandMedicinalChemistry,2011,vol.19,#21,p.6356-6374]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2012/173280,2012,A1Locationinpatent:Page/Pagecolumn31-32

Literature

Title: Changing paradigms in management of metastatic Castration Resistant Prostate Cancer (mCRPC).

Journal: BMC urology 20140101

Title: Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys.

Journal: The Journal of steroid biochemistry and molecular biology 20120401

Title: Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer.

Journal: Bioorganic & medicinal chemistry 20111101

Title: CYP17 inhibitors for prostate cancer therapy.

Journal: The Journal of steroid biochemistry and molecular biology 20110501

Title: Yamaoka M, et al. Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys.J Steroid Biochem Mol Biol. 2012 Apr;129(3-5):115-28.

Title: Kaku, Tomohiro., et al. Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. From Bioorganic & Medicinal Chemistry (2011), 19(21), 6

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