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Melfalan

С Википедије, слободне енциклопедије
Melfalan
Klinički podaci
Prodajno imeAlkeran, L-PAM, L-Phenylalanine mustard, L-Sarcolysin
Drugs.comMonografija
Način primeneOralno
Farmakokinetički podaci
Poluvreme eliminacije1,5 h
Identifikatori
CAS broj148-82-3 ДаY
ATC kodL01AA03 (WHO)
PubChemCID 4053
DrugBankDB01042 ДаY
ChemSpider405297 ДаY
ChEBICHEBI:28876 ДаY
ChEMBLCHEMBL852 ДаY
Hemijski podaci
FormulaC13H18Cl2N2O2
Molarna masa305,200
  • N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O
  • InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 ДаY
  • Key:SGDBTWWWUNNDEQ-LBPRGKRZSA-N ДаY
Fizički podaci
Tačka topljenja1.825 °C (3.317 °F)

Melfalan je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 305,200 Da.[1][2][3][4][5]

Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 2
Broj rotacionih veza 8
Particioni koeficijent[6] (ALogP) -0,1
Rastvorljivost[7] (logS, log(mol/L)) -4,0
Polarna površina[8] (PSA, Å2) 66,6
  1. ^ Loeber R, Michaelson E, Fang Q, Campbell C, Pegg AE, Tretyakova N: Cross-linking of the DNA repair protein Omicron6-alkylguanine DNA alkyltransferase to DNA in the presence of antitumor nitrogen mustards. Chem Res Toxicol. 2008 Apr;21(4):787-95. Epub 2008 Feb 14. PMID 18324787
  2. ^ Souliotis VL, Dimopoulos MA, Episkopou HG, Kyrtopoulos SA, Sfikakis PP: Preferential in vivo DNA repair of melphalan-induced damage in human genes is greatly affected by the local chromatin structure. DNA Repair (Amst). 2006 Aug 13;5(8):972-85. Epub 2006 Jun 15. PMID 16781199
  3. ^ Moscow JA, Swanson CA, Cowan KH: Decreased melphalan accumulation in a human breast cancer cell line selected for resistance to melphalan. Br J Cancer. 1993 Oct;68(4):732-7. PMID 8398701
  4. ^ Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS (2011). „DrugBank 3.0: a comprehensive resource for omics research on drugs”. Nucleic Acids Res. 39 (Database issue): D1035—41. PMC 3013709Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  5. ^ David S. Wishart; Craig Knox; An Chi Guo; Dean Cheng; Savita Shrivastava; Dan Tzur; Bijaya Gautam; Murtaza Hassanali (2008). „DrugBank: a knowledgebase for drugs, drug actions and drug targets”. Nucleic acids research. 36 (Database issue): D901—6. PMC 2238889Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  6. ^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. 
  7. ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t. 
  8. ^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e. 

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