Karbenoksolon

Karbenoksolon
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj5697-56-3 ДаY
ATC kodA02BX01 (WHO)
PubChemCID 46936354
DrugBankDB02329 ДаY
ChemSpider2463 ДаY
ChEMBLCHEMBL499915 ДаY
Hemijski podaci
FormulaC34H50O7
Molarna masa570,757
SMILES
  • CC1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(CC[C@@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
InChI
  • InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23+,24+,27-,30-,31+,32+,33+,34+/m0/s1 ДаY
  • Key:OBZHEBDUNPOCJG-SZTGPWMUSA-N ДаY
Fizički podaci
Tačka topljenja2.925 °C (5.297 °F)

Karbenoksolon je organsko jedinjenje, koje sadrži 34 atoma ugljenika i ima molekulsku masu od 570,757 Da.[1][2][3]

Osobine

Osobina Vrednost
Broj akceptora vodonika 7
Broj donora vodonika 2
Broj rotacionih veza 6
Particioni koeficijent[4] (ALogP) 5,9
Rastvorljivost[5] (logS, log(mol/L)) -8,7
Polarna površina[6] (PSA, Å2) 118,0

Reference

  1. ^ Sandeep TC, Yau JL, MacLullich AM, Noble J, Deary IJ, Walker BR, Seckl JR: 11Beta-hydroxysteroid dehydrogenase inhibition improves cognitive function in healthy elderly men and type 2 diabetics. Proc Natl Acad Sci U S A. 2004 Apr 27;101(17):6734-9. Epub 2004 Apr 7. PMID 15071189
  2. ^ 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 3013709 Слободан приступ. PMID 21059682. doi:10.1093/nar/gkq1126. 
  3. ^ 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 2238889 Слободан приступ. PMID 18048412. doi:10.1093/nar/gkm958. 
  4. ^ 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. 
  5. ^ 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. 
  6. ^ 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. 

Literatura

  • Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
  • Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

  • Carbenoxolone
  • p
  • r
  • u
Mineralokortikoidi
(3-on, 4-en,
bez fg u 16)Glukokortikoid
(3-on, 4-en,
11-FG,
17-hidroksi)
Pregnen
Pregnendion
(+20-one)
Pregnadien (+1-en)
Pregnadiendiol
(+21-hidroksi)
Pregnadientriol
(+11-hidroksi)
Pregnatrien
(+2-en)
Androsten
Drugi/negrupisani
Antagonisti aldosteronaSinteza

M: END

anat/phys/devp/horm/cell

noco(d)/cong/tumr, sysi/epon

proc, lek (A10/H1/H2/H3/H5)


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Mediji na Ostavi
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