Introduction：Basic information about CAS 183552-38-7|Abarelix, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Abarelix |
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| CAS Number | 183552-38-7 | Molecular Weight | 1416.063 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 1688.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C72H95ClN14O14 | Melting Point | / |
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| MSDS | / | Flash Point | 974.9±34.3 °C |
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Names
| Name | abarelix |
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| Synonym | More Synonyms |
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Abarelix BiologicalActivity
| Description | Abarelix is a potent gonadotrophin-releasing hormone (GnRH) antagonist, used for prostate cancer treatment. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>GNRH ReceptorPeptidesResearch Areas >>Cancer |
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| In Vitro | Abarelix (30 and 300 µg/mL) and cetrorelix cause significantly increased histamine release[1]. Abarelix is the firstGnRH antagonist to be developed, and can produce rapid and sustained decreases in testosterone to castrate levels without the need for co-administration of an antiandrogen, and with a very low complication rate in the short term[2]. Abarelix demonstrates to promptly and substantially reduce follicle-stimulating hormone levels to lower than LHRH agonist. Abarelix does not cause a surge in serum testosterone that can precipitate a flare phenomenon or worsening of disease, particularly dangerous for patients with metastatic, symptomatic disease, and produces medical castration more quickly[3]. |
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| References | [1]. Koechling W, et al. Degarelix, a novel GnRH antagonist, causes minimal histamine release compared with cetrorelix, abarelix and ganirelix in an ex vivo model of human skin samples. Br J Clin Pharmacol. 2010 Oct;70(4):580-7. [2]. Kirby RS, et al. Abarelix and other gonadotrophin-releasing hormone antagonists in prostate cancer. BJU Int. 2009 Dec;104(11):1580-4. [3]. Debruyne F, et al. Abarelix for injectable suspension: first-in-class gonadotropin-releasing hormone antagonist for prostate cancer. Future Oncol. 2006 Dec;2(6):677-96. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 1688.4±65.0 °C at 760 mmHg |
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| Molecular Formula | C72H95ClN14O14 |
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| Molecular Weight | 1416.063 |
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| Flash Point | 974.9±34.3 °C |
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| Exact Mass | 1414.684082 |
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| PSA | 424.98000 |
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| LogP | 5.18 |
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| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
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| Index of Refraction | 1.601 |
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| InChIKey | AIWRTTMUVOZGPW-HSPKUQOVSA-N |
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| SMILES | CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O |
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| Storage condition | -20°C |
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Synonyms
| Carbamic acid,acetyldithio-,methyl ester |
| Abarelix |
| Carbamodithioic acid,acetyl-,methyl ester |
| Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nα-Me-Tyr]-D-Asn-Leu-ILys-Pro-DAla-NH2 |
| acetyl-dithiocarbamic acid methyl ester |
| Abarelix Acetate |
| N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide |
| (2R)-N-[(2S)-1-{[(2S)-1-[(2S)-2-{[(2R)-1-Amino-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-6-(isopropylamino)-1-oxohexan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-2-{[(2S,5S,8R,11R,14R)-11-(4-chlorobenzyl)-2-(4-hydroxybenzyl)-5-(hydroxymethyl)-3-methyl-14-(2-naphthylmethyl)-4,7,10,13,16-pentaoxo-8-(pyridin-3-ylmethyl)-3,6,9,12,15-pentaazaheptadecan-1-oyl]amino}succinamide (non-preferred name) |
| Acetyl-dithiocarbamidsaeure-methylester |
| (2R)-N-[(2S)-1-{[(2S)-1-[(2S)-2-{[(2R)-1-Amino-1-oxo-2-propanyl]carbamoyl}-1-pyrrolidinyl]-6-(isopropylamino)-1-oxo-2-hexanyl]amino}-4-methyl-1-oxo-2-pentanyl]-2-{[(2S,5S,8R,11R,14R)-11-(4-chlorobe nzyl)-2-(4-hydroxybenzyl)-5-(hydroxymethyl)-3-methyl-14-(2-naphthylmethyl)-4,7,10,13,16-pentaoxo-8-(3-pyridinylmethyl)-3,6,9,12,15-pentaazaheptadecan-1-oyl]amino}succinamide |
