RTI-177

RTI-177

Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 9800708
ChEMBL	CHEMBL298580^Y
Hemijski podaci
Formula	C24H26N2O
Molarna masa	358,476
SMILES CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccccc3)c4onc(c4)c5ccc(C)cc5
InChI InChI=1S/C24H26N2O/c1-16-8-10-18(11-9-16)21-15-23(27-25-21)24-20(17-6-4-3-5-7-17)14-19-12-13-22(24)26(19)2/h3-11,15,19-20,22,24H,12-14H2,1-2H3/t19-,20+,22+,24-/m0/s1^Y Key:JXWXKPFVTJWLMV-IKJKNFHUSA-N^Y

RTI-177 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 358,476 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	3
Particioni koeficijent[1] (ALogP)	5,4
Rastvorljivost[2] (logS, log(mol/L))	-6,6
Polarna površina[3] (PSA, Å^2)	29,3

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

• RTI-177