![(3S,8R,9S,10R,13S,14S)-17-(1H-Benzo[d]imidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure, CAS 851983-85-2](/structures/80000/79318_1_851983_85_2.png)
CAS Number851983-85-2
SynonymsTOK-001; VN/124-1; (3β)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-ol; VN/124; Galeterone
Molecular FormulaC26H32N2O
Molecular Weight388.55
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point564.5±60.0 °C at 760 mmHg
Melting Point189-190℃
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 851983-85-2 |
| Catalog No. | 2A-9079318 |
| Chinese Name | (3BETA)-17-(1H-苯并咪唑-1-基)雄甾-5,16-二烯-3-醇 |
| Synonyms | TOK-001; VN/124-1; (3β)-17-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3-ol; VN/124; Galeterone |
| Molecular Formula | C26H32N2O |
| Molecular Weight | 388.55 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 564.5±60.0 °C at 760 mmHg |
| Melting Point | 189-190℃ |
| Appearance | powder |
| Storage Condition | -20°C |
| Application | TOK-001 is a multifunctional antiandrogen and CYP17 inhibitor with an IC50 of 47 nM in castration-resistant prostate cancer. |
| PubChem ID | 329825826 |
| MDL Number | MFCD16660907 |
| SMILES | C[C@]12C(C[C@@H](O)CC2)=CC[C@]3([H])[C@]1([H])CC[C@@]4(C)[C@@]3([H])CC=C4N5C=NC6=C5C=CC=C6 |
| InChI | 1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1 |
| InChI Key | PAFKTGFSEFKSQG-PAASFTFBSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/79318_1_851983_85_2.pdf |
| Transport Info | Product Name: Galeterone |
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