Introduction：Basic information about CAS 162046-66-4|4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid |
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| CAS Number | 162046-66-4 | Molecular Weight | 306.357 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 476.9±40.0 °C at 760 mmHg |
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| Molecular Formula | C16H22N2O4 | Melting Point | 50ºC |
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| MSDS | / | Flash Point | 242.2±27.3 °C |
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Names
| Name | 4-(4-carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Boc-piperazine-benzoic acid is a PROTAC linker and can be used in the synthesis of PROTACs, such as PROTAC androgen receptor (AR) degrader ARD-2128 (HY-13229)[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>PROTAC >>PROTAC Linker |
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| In Vitro | ARD-2128 is a highly potent, orally bioavailable PROTAC androgen receptor (AR) degrader. ARD-2128 effectively reduces AR protein, suppresses AR-regulated genes in tumor tissues, and inhibits growth of tumor without signs of toxicity. ARD-2128 has the potential for the research of the prostate cancer[1]. |
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| References | [1]. Han X, et al. Strategies toward Discovery of Potent and Orally Bioavailable Proteolysis Targeting Chimera Degraders of Androgen Receptor for the Treatment of Prostate Cancer. J Med Chem. 2021;64(17):12831-12854. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 476.9±40.0 °C at 760 mmHg |
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| Melting Point | 50ºC |
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| Molecular Formula | C16H22N2O4 |
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| Molecular Weight | 306.357 |
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| Flash Point | 242.2±27.3 °C |
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| Exact Mass | 306.157959 |
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| PSA | 70.08000 |
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| LogP | 1.93 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.561 |
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| InChIKey | BEDWYXZFIYMEJG-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1 |
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22;R36/37/38 |
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| Safety Phrases | 22-26-36/37/39 |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2933599090 |
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Customs
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid |
| 1-Piperazinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester |
| 4-(4-Carboxyphenyl)piperazine-1-carboxylic acid tert-butyl ester |
| 4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid |
| MFCD04115067 |
| 4-(4-Carboxy-phenyl)-piperazine-1-c; arboxylic acid tert-butyl ester |
| 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid |
