Orteronel

Base Information

Chemical Name:Orteronel
CAS No.:566939-85-3
Molecular Formula:C18H17N3O2
Molecular Weight:307.35
Hs Code.:
European Community (EC) Number:687-683-4
UNII:UE5K2FNS92
DSSTox Substance ID:DTXSID001319121
Nikkaji Number:J2.839.701A
Wikipedia:Orteronel
Wikidata:Q76411446
NCI Thesaurus Code:C90582
Pharos Ligand ID:BX733GLTC3XD
Metabolomics Workbench ID:153122
ChEMBL ID:CHEMBL1921976
Mol file:566939-85-3.mol

Synonyms:6-((7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo(1,2-c)imidazol-7-yl)-N-methyl-2-naphthamide;orteronel;TAK-700

Suppliers and Price of Orteronel

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Orteronel
25mg
$ 210.00

Sigma-Aldrich
CYP17A1 Inhibitor II, TAK-700 - CAS 566939-85-3 - Calbiochem
5 mg
$ 169.00

Sigma-Aldrich
CYP17A1 Inhibitor II, TAK-700 - CAS 566939-85-3 - Calbiochem Orteronel, TAK-700, 17,20-Lyase Inhibitor, [566939-85-3]
5323710001
$ 163.00

Medical Isotopes, Inc.
Orteronel
50 mg
$ 2100.00

DC Chemicals
Orteronel >98%
50 mg
$ 468.00

Crysdot
Orteronel 98+%
50mg
$ 410.00

Crysdot
Orteronel 98+%
10mg
$ 146.00

Crysdot
Orteronel 98+%
5mg
$ 81.00

ChemScene
Orteronel 99.72%
5mg
$ 162.00

ChemScene
Orteronel 99.72%
10mg
$ 270.00

Total 21 raw suppliers

Chemical Property of Orteronel

Chemical Property:

Boiling Point:685.1±45.0 °C(Predicted)
PKA:13.46±0.20(Predicted)
PSA：67.15000
Density:1.35
LogP:2.42640
Storage Temp.:-20C
Solubility.:Soluble in DMSO
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:307.132076794
Heavy Atom Count:23
Complexity:471

Purity/Quality:

99%, ^*data from raw suppliers

Orteronel ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O
Isomeric SMILES:CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@]3(CCN4C3=CN=C4)O
Recent ClinicalTrials:S1216, Phase III ADT+TAK-700 vs. ADT+Bicalutamide for Metastatic Prostate Cancer
Recent EU Clinical Trials:Open label phase II clinical trial of Orteronel (TAK-700) in metastatic or advanced non-resectable granulosa cell ovarian tumors. The Greko II study.
Recent NIPH Clinical Trials:None
Uses Orteronel is an androgen synthesis inhibitor that selectively inhibits enzyme CYP17A1, which is expressed in testicular, adrenal and prostatic tumor tissues.

Technology Process of Orteronel

There total 39 articles about Orteronel which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

: 1416216-41-5
6-[(1S)-1,3-dihydroxy-1-(1H-imidazol-4-yl)propyl]-N-methyl-2-naphthamide

: 566939-85-3
Orteronel

Guidance literature:: With sodium carbonate; methanesulfonyl chloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 25 ℃; for 8h;

Reference yield: 49.0%

: 426219-18-3,426219-23-0,426219-32-1
orteronel

: 566939-85-3
Orteronel

: 752243-39-3
6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide

Guidance literature:: With Chiralpak AD column; In ethanol; hexane; optical yield given as %ee; Resolution of racemate; HPLC conditions;
DOI:10.1016/j.bmc.2011.08.068

Reference yield:

: 426219-18-3,426219-23-0,426219-32-1
orteronel

: 566939-85-3
Orteronel

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol

2: sodium hydroxide / water

With sodium hydroxide; In ethanol; water;
DOI:10.1016/j.bmc.2011.08.068