表阿霉素（CAS 56420-45-2）：分子式 C27H29NO11、分子量 543.5。
| CAS号 | 56420-45-2 |
|---|---|
| 分子式 | C27H29NO11 |
| 分子量 | 543.5 |
| 熔点 | 344.53 |
| LogP | -0.5 |
| 应用领域 | Uses: MEDICATION (VET)、MEDICATION、Antibiotics、Antineoplastic、Topoisomerase II Inhibitors、Use (kg、approx.) in Germany (2009): >10、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Calculated removal (%): 8.9、For use as a component of adjuvant therapy in patients with evidence of axillary node tumor involvement following resection of primary breast cancer.、Methods of Manufacturing: Sicor developed a route from doxorubicin、in which the hydroxyl groups at C-9 and C-14 are protected as dioxanones (by reaction of doxorubicin with triethyl orthoformate)、the 3'-amino group is protected as its N-trifluoroacetyl derivative、the hydroxyl groups of ring B as their trimethylsilyl derivatives、and the 4'-hydroxy group of the daunosamine residue is converted to a triflate group、which by nucleophilic substitution of the triflate by formate and then deprotection leads to、epirubicin、.、The most direct route starts with the N-trifluoroacetyl derivative of daunorubicin、which is oxidized at very low temperature (-70 °C) with dimethylsulfoxide activated by trifluroacetanhydride to afford the 4'-keto derivative. Stereoselective reduction with sodium borohydride at -30 °C gives the 4'-epi-N-trifluoroacetyl daunorubicin、which after alkaline hydrolysis of the trifluoroacetyl group can be converted into、...、Preparation: E. Arcamone et al.、German patent 2510866、eidem、United States of America patent 4058519 (1975、1977 both to Soc. Farmaceut. Italia)、Formulations、Preparations: Parenteral: Injection、for IV use only、2 mg、mL (50 and 200 mg)、Ellence (Pfizer)、General Manufacturing Information: Analog of the anthracycline antibiotic doxorubicin ... differing only in the position of the C-4 hydroxy group of the the sugar moiety. |
登记用途：Uses: MEDICATION (VET)、MEDICATION、Antibiotics、Antineoplastic、Topoisomerase II Inhibitors、Use (kg、approx.) in Germany (2009): >10、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Calculated removal (%): 8.9、For use as a component of adjuvant therapy in patients with evidence of axillary node tumor involvement following resection of primary breast cancer.、Methods of Manufacturing: Sicor developed a route from doxorubicin、in which the hydroxyl groups at C-9 and C-14 are protected as dioxanones (by reaction of doxorubicin with triethyl orthoformate)、the 3'-amino group is protected as its N-trifluoroacetyl derivative、the hydroxyl groups of ring B as their trimethylsilyl derivatives、and the 4'-hydroxy group of the daunosamine residue is converted to a triflate group、which by nucleophilic substitution of the triflate by formate and then deprotection leads to、epirubicin、.、The most direct route starts with the N-trifluoroacetyl derivative of daunorubicin、which is oxidized at very low temperature (-70 °C) with dimethylsulfoxide activated by trifluroacetanhydride to afford the 4'-keto derivative. Stereoselective reduction with sodium borohydride at -30 °C gives the 4'-epi-N-trifluoroacetyl daunorubicin、which after alkaline hydrolysis of the trifluoroacetyl group can be converted into、...、Preparation: E. Arcamone et al.、German patent 2510866、eidem、United States of America patent 4058519 (1975、1977 both to Soc. Farmaceut. Italia)、Formulations、Preparations: Parenteral: Injection、for IV use only、2 mg、mL (50 and 200 mg)、Ellence (Pfizer)、General Manufacturing Information: Analog of the anthracycline antibiotic doxorubicin ... differing only in the position of the C-4 hydroxy group of the the sugar moiety.。
表阿霉素 是一种化工化合物，登记 CAS 号为 56420-45-2，分子式 C27H29NO11（分子量 543.5）。
登记 CAS 号：56420-45-2
其分子式 C27H29NO11 由 27 个碳、29 个氢、1 个氮、11 个氧 组成。
别名/同义词：表阿霉素 · Epirubicin
表阿霉素 的 CAS 登记号为 56420-45-2。
分子式 C27H29NO11，分子量 543.5。
别名/同义词：表阿霉素、Epirubicin。
登记用途：Uses: MEDICATION (VET)、MEDICATION、Antibiotics、Antineoplastic、Topoisomerase II Inhibitors、Use (kg、approx.) in Germany (2009): >10、Consumption (g per capita、approx.) in Germany (2009): 0.000122、Calculated removal (%): 8.9、For use as a component of adjuvant therapy in patients with evidence of axillary node tumor involvement following resection of primary breast cancer.、Methods of Manufacturing: Sicor developed a route from doxorubicin、in which the hydroxyl groups at C-9 and C-14 are protected as dioxanones (by reaction of doxorubicin with triethyl orthoformate)、the 3'-amino group is protected as its N-trifluoroacetyl derivative、the hydroxyl groups of ring B as their trimethylsilyl derivatives、and the 4'-hydroxy group of the daunosamine residue is converted to a triflate group、which by nucleophilic substitution of the triflate by formate and then deprotection leads to、epirubicin、.、The most direct route starts with the N-trifluoroacetyl derivative of daunorubicin、which is oxidized at very low temperature (-70 °C) with dimethylsulfoxide activated by trifluroacetanhydride to afford the 4'-keto derivative. Stereoselective reduction with sodium borohydride at -30 °C gives the 4'-epi-N-trifluoroacetyl daunorubicin、which after alkaline hydrolysis of the trifluoroacetyl group can be converted into、...、Preparation: E. Arcamone et al.、German patent 2510866、eidem、United States of America patent 4058519 (1975、1977 both to Soc. Farmaceut. Italia)、Formulations、Preparations: Parenteral: Injection、for IV use only、2 mg、mL (50 and 200 mg)、Ellence (Pfizer)、General Manufacturing Information: Analog of the anthracycline antibiotic doxorubicin ... differing only in the position of the C-4 hydroxy group of the the sugar moiety.。
表阿霉素（CAS 56420-45-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 56420-45-2 |
|---|---|
| PubChem CID | 41867 |
| Molecular formula | C27H29NO11 |
| IUPAC name | (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| UNII (FDA) | 3Z8479ZZ5X |
| Molecular Weight | 543.5 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Exact Mass | 543.17406074 |
| Monoisotopic Mass | 543.17406074 |
| Topological Polar Surface Area | 206 |
| Heavy Atom Count | 39 |
| Melting Point | 344.53 |
|---|---|
| Melting Point | 344.53 °C |
| Solubility | 0.093 |
| Solubility | 1.18e+00 g/L |
| LogP | -0.5 |
Epirubicin; 56420-45-2; Epiadriamycin; Epidoxorubicin; 4'-Epiadriamycin; Epirubicine; 4'-epidoxorubicin; Epirubicina; Ridorubicin; Epirubicinum; Pidorubicina; Pidorubicine; Pidorubicinum; Farmorubicin; Epirubicinum [Latin]; Pidorubicin
| Reported hazard statements | H302 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Epirubicin · CAS 56420-45-2 · C27H29NO11. UNII 3Z8479ZZ5X. Melting Point: 344.53; Melting Point: 344.53 °C; Solubility: 0.093.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Epirubicin