Introduction：Basic information about CAS 42228-92-2|Acivicin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acivicin |
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| CAS Number | 42228-92-2 | Molecular Weight | 178.574 |
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| Density | 1.9±0.1 g/cm3 | Boiling Point | 341.6±48.0 °C at 760 mmHg |
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| Molecular Formula | C5H7ClN2O3 | Melting Point | >200ºC (dec.) |
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| MSDS | ChineseUSA | Flash Point | 160.4±29.6 °C |
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Names
| Name | Acivicin |
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| Synonym | More Synonyms |
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Acivicin BiologicalActivity
| Description | Acivicin (AT-125), a natural product produced by Streptomyces sviceus is a γ−glutamyl transpeptidase (GGT) inhibitor. Acivicin can across the blood-brain barrier and has anti-cancer, anti-parasitic properties[1][2]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>Infection |
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| Target | GGT[1] |
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| References | [1]. Kreuzer J, et al. Target discovery of acivicin in cancer cells elucidates its mechanism of growth inhibition†Electronic supplementary information (ESI) available: Synthesis, cloning, protein expression, purification and biochemical assays. Chem Sci. 2014 Dec 1;6(1):237-245. Epub 2014 Sep 26. [2]. Chikhale EG, et al. Carrier-mediated transport of the antitumor agent acivicin across the blood-brain barrier. Biochem Pharmacol. 1995 Mar 30;49(7):941-5. |
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Chemical & Physical Properties
| Density | 1.9±0.1 g/cm3 |
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| Boiling Point | 341.6±48.0 °C at 760 mmHg |
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| Melting Point | >200ºC (dec.) |
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| Molecular Formula | C5H7ClN2O3 |
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| Molecular Weight | 178.574 |
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| Flash Point | 160.4±29.6 °C |
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| Exact Mass | 178.014526 |
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| PSA | 84.91000 |
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| LogP | -0.31 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.664 |
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| InChIKey | QAWIHIJWNYOLBE-OKKQSCSOSA-N |
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| SMILES | NC(C(=O)O)C1CC(Cl)=NO1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY2103000
- CHEMICAL NAME :
- 5-Isoxazoleacetic acid, 4,5-dihydro-alpha-amino-3-chloro-, (S-(R*,R*))-
- CAS REGISTRY NUMBER :
- 42228-92-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H7-Cl-N2-O3
- MOLECULAR WEIGHT :
- 178.59
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Micronucleus test
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Bird - chicken Embryo
- DOSE/DURATION :
- 6 umol/L
- 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: 26,633,1983
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | 20/21/22 |
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| Safety Phrases | S36 |
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| RIDADR | UN 3172 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| 5-isoxazoleacetic acid, a-amino-3-chloro-4,5-dihydro-, (aS,5S)- |
| (2S)-Amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid |
| Acivicine |
| ACIA |
| 5-Isoxazoleacetic acid, α-amino-3-chloro-4,5-dihydro-, (αS,5S)- |
| AT-125 |
| (αS,5S)-α-Amino-3-chloro-2-isoxazoline-5-acetic acid |
| (S-(R*,R*))-4,5-Dihydro-a-amino-3-chloro-5-isoxazoleacetic Acid |
| (S-(R*,R*))-4,5-Dihydro-α-amino-3-chloro-5-isoxazoleacetic acid |
| Acivicinum |
| Antibiotic AT 125 |
| (α-S,5S)-α-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic acid |
| Acivicino |
| (2S)-2-amino-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]acetic acid |
| Acivicin |
| (2S)-amino[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid |
| (a-S,5S)-a-Amino-3-chloro-4,5-dihydro-5-isoxazoleacetic Acid |
