Introduction:Basic information about CAS 24159-07-7|Febrifugine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Febrifugine |
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| CAS Number | 24159-07-7 | Molecular Weight | 301.340 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 508.2±60.0 °C at 760 mmHg |
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| Molecular Formula | C16H19N3O3 | Melting Point | 139-140°; mp 154-156° |
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| MSDS | / | Flash Point | 261.1±32.9 °C |
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Names
| Name | Febrifugine |
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| Synonym | More Synonyms |
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Febrifugine BiologicalActivity
| Description | Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Others >>Others |
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| References | [1]. Herman JD, et al. The cytoplasmic prolyl-tRNA synthetase of the malaria parasite is a dual-stage target of febrifugine and its analogs. Sci Transl Med. 2015 May 20;7(288):288ra77. [2]. McLaughlin NP, et al. The chemistry and biology of febrifugine and halofuginone. Bioorg Med Chem. 2014 Apr 1;22(7):1993-2004. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 508.2±60.0 °C at 760 mmHg |
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| Melting Point | 139-140°; mp 154-156° |
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| Molecular Formula | C16H19N3O3 |
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| Molecular Weight | 301.340 |
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| Flash Point | 261.1±32.9 °C |
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| Exact Mass | 301.142639 |
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| PSA | 84.22000 |
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| LogP | -0.04 |
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| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
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| Index of Refraction | 1.673 |
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| InChIKey | FWVHWDSCPKXMDB-CABCVRRESA-N |
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| SMILES | O=C(CC1NCCCC1O)Cn1cnc2ccccc2c1=O |
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| Storage condition | 2-8℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VA3450000
- CHEMICAL NAME :
- 4(3H)-Quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2S-trans)-
- CAS REGISTRY NUMBER :
- 24159-07-7
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C16-H19-N3-O3
- MOLECULAR WEIGHT :
- 301.38
- WISWESSER LINE NOTATION :
- T66 BVN ENJ C1V1- BT6NTJ CQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 71,1048,1949
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,867,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4600 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 161,400,1948
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Safety Information
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
| 3-{3-[(2S,3R)-3-Hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one |
| 3-[b-Keto-g-(3-hydroxy-2-piperidyl)propyl]-4-quinazolone |
| (2S-trans)-3-[3-(3-Hydroxy-2-piperidinyl)-2-oxopropyl]-4(3H)-quinazolinone |
| 3-{3-[(2S,3R)-3-Hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone |
| b-Dichroine |
| β-Dichroine |
| 4(3H)-Quinazolinone, 3-[3-[(2S,3R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]- |
| Febrifugine |
| febrifungine |
| Febrifugine (8CI) |