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566939-85-3 (Orteronel)

1

Identification

Orteronel Orteronel
Name Orteronel
Formula C18H17N3O2
MW 307.35
CAS No. 566939-85-3
EINECS
Smiles O=C(C1=CC=C2C=C([[email protected]@]3(O)CCN4C=NC=C43)C=CC2=C1)NC
Synonyms TAK-700;TAK700;TAK 700; (S)-6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide
InChI InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
2

Introduction

Orteronel(TAK-700) was selected as a candidate for clinical evaluation.

Background Information

Orteronel(TAK-700) was selected as a candidate for clinical evaluation. orteronel (TAK-700) is currently in phase III clinical trials for the treatment of castration-resistant prostate cancer. IC50 value: Target: ......by MedChemexpress Co., Ltd.
verteporfin is a potent second-generation photosensitizing agent derived from porphyrin. ......by Target Molecule Corp.
3

Protocol(Only for Reference)

Cell Experiment

Animal Experiment

4

Physical and Chemical Properties

Appearance:White to off-white solid EBNumber:EB000028586

Storage condition

Solubility

DMSO ≥60mg/mL Water <1.2mg/mL Ethanol ≥60mg/mL by MedChemexpress Co., Ltd.
5

Mechanism and Indication

6

Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Orteronel SWOG Metastatic prostate cancer 2013/3/31 2020/7/1 Phase 3 Clinical
Orteronel Schweizerische Arbeitsgruppe fuer angewandte Krebsforschung; Swiss Group for Clinical Cancer Research Hormone refractory prostate cancer 2012/9/30 2020/12/31 Phase 3 Clinical
Orteronel Radiation Therapy Oncology Group Hormone dependent prostate cancer 2012/5/31 2014/10/1 Phase 3 Clinical
Orteronel Millennium Pharmaceuticals Inc; PPD Development (S) Pte Ltd; Takeda Bio Development Center Ltd Hormone refractory prostate cancer 2010/11/30 2013/7/31 Phase 3 Clinical
Orteronel Millennium Pharmaceuticals Inc Hormone refractory prostate cancer 2010/10/31 2013/6/30 Phase 3 Clinical
Orteronel - Phase 3
7

Safety Data of Orteronel

8

Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
CHEMSCENE, LLC 5mg/USD135(In stock);10mg/USD225(In stock);50mg/USD585(In stock) USA
MedChemexpress Co., Ltd. 5mg/USD135(In stock);10mg/USD225(In stock);50mg/USD585(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 5mg/USD175(In stock);10mg/USD225(In stock);50mg/USD585(In stock) China
Target Molecule Corp. 2mg/USD71();5mg/USD98();10mg/USD152();25mg/USD258();50mg/USD468() USA
10

Related Products

Other Forms of 566939-85-3

Name CAS No Formula MW

Recommended Compounds in Cytochrome P450

Name CAS No Formula MW
Dafadine-A 1065506-69-5 C23H25N3O3 391.46
VT-464 (racemate) 1375603-36-3 C18H17F4N3O3 399.34
VT-464 1610537-15-9 C18H17F4N3O3 399.34
Isosilybin 72581-71-6 C25H22O10 482.44
Memantine (hydrochloride) 41100-52-1 C12H22ClN 215.76
Clarithromycin 81103-11-9 C38H69NO13 747.95
(+)-Ketoconazole 142128-59-4 C26H28Cl2N4O4 531.43
Ketoconazole 65277-42-1 C26H28Cl2N4O4 531.43
Galangin 548-83-4
Bergapten 484-20-8 C12H8O4 216.19
Naringin 10236-47-2 C27H32O14 580.53
Diosmetin 520-34-3 C16H12O6 300.26
Fenofibrate 49562-28-9 C20H21ClO4 360.83
4-hydroxy-7H-furo[3,2-g]chromen-7-one 486-60-2 C11H6O4 202.16
(R)-Talarozole 870093-23-5 C21H23N5S 377.51
Choline Fenofibrate 856676-23-8 C22H28ClNO5 421.91
Talarozole 201410-53-9 C21H23N5S 377.51
BAL 4815 241479-67-4 C22H17F2N5OS 437.47
Cobicistat 1004316-88-4 C40H53N7O5S2 776.02
Methoxsalen 298-81-7 C12H8O4 216.19

Recommended Compounds in Same Indication

Name CAS No Formula MW
TAK-700 (R-form) 752243-39-3 C18H17N3O2 307.35
Olaparib 763113-22-0 C24H23FN4O3 434.46
KX2-391 897016-82-9 C26H29N3O3 431.53
AT-101 90141-22-3 C30H30O8 518.55
Bicalutamide 90357-06-5 C18H14F4N2O4S 430.37
Enzalutamide 915087-33-1 C21H16F4N4O2S 464.44
Tivozanib 475108-18-0 C22H19ClN4O5 454.86
Linsitinib 867160-71-2 C26H23N5O 421.49
Fenretinide 65646-68-6 C26H33NO2 391.55
Leuprolide (Acetate) 74381-53-6 C61H88N16O14 1269.45
Retaspimycin 857402-23-4 C31H45N3O8 587.7
Retaspimycin (Hydrochloride) 857402-63-2 C31H46ClN3O8 624.17
(S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide 859212-16-1 C30H31F3N8O 576.62
AT13387 912999-49-6 C24H31N3O3 409.52
Tasquinimod 254964-60-8 C20H17F3N2O4 406.36
TAK-700 426219-18-3 C18H17N3O2 307.35
TAK-700 (salt) 426219-53-6 C28H28N4O7 532.54
TOK-001 851983-85-2 C26H32N2O 388.55
Cabozantinib 849217-68-1 C28H24FN3O5 501.51
Odanacatib 603139-19-1 C25H27F4N3O3S 525.56
11

Route of Synthesis

12

References

[1]. Gurav S, Police A, Zainuddin M, Punde RR, Dewang P, V C, Kethiri RR, Rajagopal S, Mullangi R. Development and validation of an enantioselective LC-MS/MS method to quantify enantiomers of (±)-TAK-700 in rat plasma: lack of in vivo inversion of (+)-TAK-700 (Orteronel) to its antipode. Biomed Chromatogr. 2012 Jun 19. doi: 10.1002/bmc.2764.

[2]. Yamaoka M, Hara T, Hitaka T, Kaku T, Takeuchi T, Takahashi J, Asahi S, Miki H, Tasaka A, Kusaka M. 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.

[3]. Kaku T, Hitaka T, Ojida A, Matsunaga N, Adachi M, Tanaka T, Hara T, Yamaoka M, Kusaka M, Okuda T, Asahi S, Furuya S, Tasaka A. 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. Bioorg Med Chem. 2011 Nov 1;19(21):6383-99.

[4]. 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 By Kaku, Tomohiro; Hitaka, Takenori; Ojida, Akio; Matsunaga, Nobuyuki; Adachi, Mari; Tanaka, Toshimasa; Hara, Takahito; Yamaoka, Masuo; Kusaka, Masami; Okuda, Teruaki; et al From Bioorganic & Medicinal Chemistry (2011), 19(21), 6383-6399.

[5]. Gurav S, Police A, Zainuddin M, Farooqui JH, Reddy G K, Kethiri RR, Rajagopal S, Mullangi R. Development and validation of a highly sensitive LC-ESI-MS/MS method for the determination of Orteronel(?) (TAK-700) in rat plasma: application to a pharmacokinetic study. Bioanalysis. 2012 Jun;4(12):1471-80.

Protocol Reference

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More Information

Orteronel

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