Pidotimod

Pidotimod

IUPAC ime
(4R)-3-(5-oxo-L-prolyl)-1,3-thiazolidine-4-carboxylic acid
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	121808-62-6^Y
ATC kod	L03AX05 (WHO)
PubChem	CID 65944
ChemSpider	59348^Y
UNII	785363R681^Y
KEGG	D07261^Y
ChEMBL	CHEMBL1488165^Y
Sinonimi	(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
Hemijski podaci
Formula	C9H12N2O4S
Molarna masa	244,268
SMILES OC(=O)[C@@H]1CSCN1C(=O)[C@@H]2CCC(=N2)O
InChI InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1^Y Key:UUTKICFRNVKFRG-WDSKDSINSA-N^Y

Pidotimod je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 244,268 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	-0,3
Rastvorljivost[2] (logS, log(mol/L))	-0,9
Polarna površina[3] (PSA, Å^2)	115,5

Reference

1. 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. 
2. 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. 
3. 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

• Pidotimod

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