CAS Number116057-75-1
SynonymsIdoxifene; 1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)pyrrolidine; pyrrolidino-4-iodotamoxifen; (E)-1-<4-<2-(N-pyrrolidino)ethoxy>phenyl>-1-(4-iodophenyl)-2-phenyl-1-butene; 1-(2-{4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy}ethyl)pyrrolidine; (E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenyl-1-butenyl)phenoxy)ethyl)pyrrolidine; 1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)pyrrolidine; Iodoxifene; trans-1-(4-iodophenyl)-2-phenyl-1-(4-<2-(1-pyrrolidinyl)ethoxy>phenyl)-1-butene; 1-(2-(4-((1E)-1-(4-Iodophenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)pyrrolidine; (E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)pyrrolidine; CB7432
Molecular FormulaC28H30O1N1I1
Molecular Weight523.46
Purity98%
Density1.3±0.1 g/cm3
Boiling Point573.4±50.0 °C at 760 mmHg
Melting Point108-109° (McCague et al.)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 116057-75-1 |
| Catalog No. | 2A-9010894 |
| Chinese Name | 碘昔芬 |
| Synonyms | Idoxifene; 1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)pyrrolidine; pyrrolidino-4-iodotamoxifen; (E)-1-<4-<2-(N-pyrrolidino)ethoxy>phenyl>-1-(4-iodophenyl)-2-phenyl-1-butene; 1-(2-{4-[(E)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy}ethyl)pyrrolidine; (E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenyl-1-butenyl)phenoxy)ethyl)pyrrolidine; 1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)pyrrolidine; Iodoxifene; trans-1-(4-iodophenyl)-2-phenyl-1-(4-<2-(1-pyrrolidinyl)ethoxy>phenyl)-1-butene; 1-(2-(4-((1E)-1-(4-Iodophenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)pyrrolidine; (E)-1-(2-(4-(1-(4-Iodophenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)pyrrolidine; CB7432 |
| Molecular Formula | C28H30O1N1I1 |
| Molecular Weight | 523.46 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 573.4±50.0 °C at 760 mmHg |
| Melting Point | 108-109° (McCague et al.) |
| Storage Condition | -20°C, sealed, dry |
| Application | CB7432 is a tissue-specific selective estrogen receptor modulator (SERM). |
| HTC | 2933990090 |
| MDL Number | MFCD00865557 |
| SMILES | CCC(=C(c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccccc1 |
| InChI | InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27- |
| InChI Key | JJKOTMDDZAJTGQ-DQSJHHFOSA-N |
| MSDS | msds/10894_1_116057_75_1.pdf |
| Use of | CB7432 is a novel tissue-specific selective estrogen receptor modulator (SERM). Properties Name 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine Synonym More Synonyms Idoxifene Biological Activity Description CB7432 is a novel tissue-specific selective estrogen receptor modulator (SERM). Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer Estrogen receptor[1] In Vitro CB7432 (Idoxifene) possesses the protective roles in vascular smooth muscle cells by its blunting the angiotensin II-induced production of reactive oxygen species (ROS). CB7432 evidently suppresses HSC activation, inhibits culture-activated HSC proliferation in a dose-dependent manner, and induces culture-activated HSC apoptosis in a time-dependent manner[1]. CB7432 (Idoxifene) acts in bone as an estrogen agonist for osteoblasts, and shows negligible agonist activity in human endometrial cells. CB7432 and E2 protect hepatocytes from inflammatory cell injury by inhibiting activation of the NF-κB proinflammatory transcription factor[2]. Cell Assay DNA synthesis in cultured HSCs is measured using a Cell Proliferation Biotrack ELISA system. HSCs are cultured in DMEM supplemented with 10% FBS in 96-well plate for 4 d. In the period, the medium is replaced every other day. After 4 d, the culture medium is removed and the same medium with or without 1, 10, or 100 nM of CB7432 (Idoxifene) is added to the cells respectively. After the cells are cultured for an additional 24 h, bromodeoxyuridine (BrdU) is added into each well at a final concentration of 10 μM and the cells are incubated with BrdU for 24 h. The incorporated BrdU is detected[1]. References [1]. Zhou YJ, et al. Inhibitory effects of idoxifene on hepatic fibrosis in rats. Acta Pharmacol Sin. 2005 May;26(5):581-6. [2]. Lu G, et al. Antioxidant and antiapoptotic activities of idoxifene and estradiol in hepatic fibrosis in rats. Life Sci. 2004 Jan 2;74(7):897-907. Chemical & Physical Properties Molecular Formula C28H30INO Exact Mass 523.137207 PSA 12.47000 Index of Refraction 1.623 InChIKey JJKOTMDDZAJTGQ-DQSJHHFOSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Pyrrolidine, 1-(2-(4-(1-(4-iodophenyl)-2-phenyl-1-butenyl)phenoxy) ethyl)-, (E)- CAS REGISTRY NUMBER : 116057-75-1 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C28-H30-I-N-O MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 17,1051,1996 Safety Information HS Code 2933990090 Synthetic Route Pyrrolidine CAS#:123-75-1 (E)-1-[4-(2-chl... CAS#:116057-73-9 CAS#:116057-75-1 Literature: McCague, Raymond; Potter, Gerard A.; Jarman, Michael Organic Preparations and Procedures International, 1994 , vol. 26, # 3 p. 343 - 346 Pyrrolidine CAS#:123-75-1 1,4-Diiodobenzene CAS#:624-38-4 1-[4-(2-Chloroe... CAS#:103628-22-4 CAS#:116057-75-1 Literature: Ace, Karl W.; Armitage, Mark A.; Bellingham, Richard K.; Blackler, Paul D.; Ennis, David S.; Hussain, Nigel; Lathbury, David C.; Morgan, David O.; O'Connor, Noah; Oakes, Graham H.; Passey, Stephen C.; Powling, Laurence C. Organic Process Research and Development, 2001 , vol. 5, # 5 p. 479 - 490 Pyrrolidine CAS#:123-75-1 1-[4-(2-chloroe... CAS#:370563-63-6 Phenyl ethyl ketone CAS#:93-55-0 CAS#:116057-75-1 Literature: Ace, Karl W.; Armitage, Mark A.; Bellingham, Richard K.; Blackler, Paul D.; Ennis, David S.; Hussain, Nigel; Lathbury, David C.; Morgan, David O.; O'Connor, Noah; Oakes, Graham H.; Passey, Stephen C.; Powling, Laurence C. Organic Process Research and Development, 2001 , vol. 5, # 5 p. 479 - 490 Precursor & DownStream Precursor 8 CAS#:123-75-1 Pyrrolidine CAS#:116057-73-9 (E)-1-[4-(2-chl... CAS#:624-38-4 1,4-Diiodobenzene CAS#:103628-22-4 1-[4-(2-Chloroe... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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