3D Mol Similar

EPOETIN ALFA

: Iupac Name：(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4R,5S,6R)-5-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one; CAS No.: 113427-24-0; Molecular Weight：609.71136; Modify Date.: 2022-11-05 01:51; Introduction: Epoetin alfa, rEPO (Epogen, Procrit), isthe recombinant human erythropoietin produced in Chinesehamster ovary cells into which the human erythropoietin genehas been inserted. These mammalian cells glycosylate theprotein in a manner similar to that observed in human cells.Epoetin alfa is indicated in anemic patients with chronicrenal failure, including both those who require regular dialysisand those who do not. Epoetin alfa is also indicated inanemia associated with AIDS, treatment of AIDS with zidovudine,frequent blood donations, and neoplastic diseases.It is indicated to prevent anemia in patients who donateblood prior to surgery for future autologoustransfusions and to reduce the need for repeated maintenancetransfusions. The hormone is available as an isotonicbuffered solution, which is administered by the intravenousroute. The solution should not be frozen or shakenand is stored at 36°F to 46°F. View more+

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1. Names and Identifiers

: 1.1 Name; EPOETIN ALFA; 1.2 Synonyms; Abseamed alphaEpoetin alpha-Epoetin Drg-0062 EPO(ERYTHROPOIETIN) Epoetin alpha Epoetina alfa Epoetine alfa Rhepo; View all

1.6 Inchi: InChI=1S/C42H73NO16/c1-22-18-27(16-17-44)36(59-40-34(47)33(43(8)9)35(24(3)56-40)58-32-21-42(7,51)39(49)26(5)55-32)37(52-10)28(45)19-30(46)53-23(2)14-12-11-13-15-29(22)57-31-20-41(6,50)38(48)25(4)54-31/h11-13,15,22-29,31-40,44-45,47-51H,14,16-21H2,1-10H3

1.8 Canonical Smiles: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CCO)C)OC4CC(C(C(O4)C)O)(C)O

1.9 Isomers Smiles: CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CCO)C)OC4CC(C(C(O4)C)O)(C)O

2. Properties

2.1 Stability: Epoetin alfa injection also should not be shaken, since denaturation of the protein with resultant loss of biologic activity may occur; however, a small amount of flocculation in solution reportedly does not affect potency.

3. Use and Manufacturing

4. Safety and Handling

5. MSDS

no data available

no data available

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Other Information

7.2 General Description: Epoetin alfa, rEPO (Epogen, Procrit), isthe recombinant human erythropoietin produced in Chinesehamster ovary cells into which the human erythropoietin genehas been inserted. These mammalian cells glycosylate theprotein in a manner similar to that observed in human cells.
Epoetin alfa is indicated in anemic patients with chronicrenal failure, including both those who require regular dialysisand those who do not. Epoetin alfa is also indicated inanemia associated with AIDS, treatment of AIDS with zidovudine,frequent blood donations, and neoplastic diseases.It is indicated to prevent anemia in patients who donateblood prior to surgery for future autologoustransfusions and to reduce the need for repeated maintenancetransfusions. The hormone is available as an isotonicbuffered solution, which is administered by the intravenousroute. The solution should not be frozen or shakenand is stored at 36°F to 46°F.

7.3 Clinical Use: Epoetin Alfa, recombinant Erythropoietin alfa, Epogen,Procrit, is a glycoprotein that stimulates red blood cellproduction. It is produced in the kidney, and it activates theproliferation and differentiation of specially committed erythroidprogenitors in the bone marrow.
Epoetin is indicated to treat anemia of chronic renal failurepatients, anemia in zidovudine-treated HIV-infectedpatients, and in cancer patients taking chemotherapy. Theresults in these cases have been dramatic; most patients respondwith a clinically significant increase in hematocrit.

7.4 Veterinary Drugs and Treatments: EPO has been used to treat dogs and cats for anemia associated with chronic renal failure. Some clinicians state that because of the expense and potential risks associated with its use, PCV’s should be in the “teens” before considering beginning EPO therapy. Development of antibodies to EPO has severely limited its clinical usefulness in veterinary medicine for chronic use. EPO may be demonstrated in the future to have significant benefits in reducing the number or volume of transfusions, or as a neuroprotective agent.

8. Computational chemical data

Molecular Weight: 609.71136g/mol
Molecular Formula: C₄₂H₇₃NO₁₆
Compound Is Canonicalized: True
XLogP3-AA: 0.8
Exact Mass: 847.49293524
Monoisotopic Mass: 847.49293524
Complexity: 1370
Rotatable Bond Count: 10
Hydrogen Bond Donor Count: 7
Hydrogen Bond Acceptor Count: 17
Topological Polar Surface Area: 236
Heavy Atom Count: 59
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 20
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 2
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB+PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgCIACDSCAAAAAAgAAAICAEIAAgbFBYAoQAnUAAH4AAfoAPK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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EPOETIN ALFA