Introduction：Basic information about CAS 93515-00-5|2-Iodomelatonin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Iodomelatonin |
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| CAS Number | 93515-00-5 | Molecular Weight | 358.17500 |
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| Density | 1.63g/cm3 | Boiling Point | 574.5ºC at 760mmHg |
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| Molecular Formula | C13H15IN2O2 | Melting Point | / |
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| MSDS | / | Flash Point | 301.3ºC |
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Names
| Name | N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide |
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| Synonym | More Synonyms |
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2-Iodomelatonin BiologicalActivity
| Description | 2-Iodomelatonin is a potent agonist of melatonin receptor 1 (MT1) with a Ki value of 28 pM, it is more 5-fold selective for MT1 over MT2[1]. 2-iodomelatonin can be used to identify, characterize and localize melatonin binding sites in the brain and peripheral tissues[1]. |
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| Related Catalog | Signaling Pathways >>Neuronal Signaling >>Melatonin ReceptorResearch Areas >>OthersSignaling Pathways >>GPCR/G Protein >>Melatonin Receptor |
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| In Vitro | 2-iodomelatonin (0-7.5 μM; 18 hours) shares the protective properties of melatonin, it inhibits cell death of mutant htt ST14A and inhibits the increase in Rip2 expression in stressed mutant htt ST14A cells[2]. Cell Viability Assay[2] Cell Line: Mutant htt ST14A cell Concentration: 0 μM; 1 μM; 5 μM; 7.5 μM Incubation Time: 18 hours Result: Inhibited mutant htt ST14A cell death. |
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| References | [1]. Tomkinson A, et al. A murine IL-4 receptor antagonist that inhibits IL-4- and IL-13-induced responses prevents antigen-induced airway eosinophilia and airway hyperresponsiveness. J Immunol. 2001 May 1;166(9):5792-800. [2]. Wang X, et al. The melatonin MT1 receptor axis modulates mutant Huntingtin-mediated toxicity.J Neurosci. 2011 Oct 12;31(41):14496-507. |
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Chemical & Physical Properties
| Density | 1.63g/cm3 |
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| Boiling Point | 574.5ºC at 760mmHg |
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| Molecular Formula | C13H15IN2O2 |
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| Molecular Weight | 358.17500 |
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| Flash Point | 301.3ºC |
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| Exact Mass | 358.01800 |
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| PSA | 54.12000 |
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| LogP | 2.85060 |
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| Index of Refraction | 1.654 |
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| InChIKey | FJDDSMSDZHURBJ-UHFFFAOYSA-N |
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| SMILES | COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AC4376000
- CHEMICAL NAME :
- Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-
- CAS REGISTRY NUMBER :
- 93515-00-5
- LAST UPDATED :
- 199406
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H15-I-N2-O2
- MOLECULAR WEIGHT :
- 358.20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 53,1357,1993
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 53,1357,1993
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Safety Information
| WGK Germany | 3 |
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| RTECS | AC4376000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| 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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Synonyms
| ML2 |
| Tocris-0737 |
| IODOMELATONIN |
| Lopac-I-1899 |
| 2-Iodomelatonin |
