JMV 2959 - CAS 925238-89-7

Catalog:	BB063673
Product Name:	JMV 2959
CAS:	925238-89-7
Synonyms:	N-[(R)-1-[4-(4-Methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-aminoacetamide

Technical Data

IUPAC Name:	2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
Description:	JMV 2959 is a ghrelin antagonist affecting the hunger state and release of growth hormone. It indirectly may influence behaviours associated with addictive alcohol and drug disorders as well as schizophrenia.
Molecular Weight:	254.29
Molecular Formula:	C14H14N4O
Canonical SMILES:	COC1=CC=C(C=C1)CN2C(=NN=C2C(CC3=CNC4=CC=CC=C43)NC(=O)CN)CCC5=CC=CC=C5
InChI:	InChI=1S/C30H32N6O2/c1-38-24-14-11-22(12-15-24)20-36-28(16-13-21-7-3-2-4-8-21)34-35-30(36)27(33-29(37)18-31)17-23-19-32-26-10-6-5-9-25(23)26/h2-12,14-15,19,27,32H,13,16-18,20,31H2,1H3,(H,33,37)/t27-/m1/s1
InChI Key:	OZSZELOMMMKWTM-HHHXNRCGSA-N
References:	Gomez, J. Neuropharmacol., 97, 182 (2015); Engel, J. et al. Psychopharmaco., 232, 4285 (2015).

Complexity:	726
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	508.25867428
Formal Charge:	0
Heavy Atom Count:	38
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	508.25867428
Rotatable Bond Count:	11
Topological Polar Surface Area:	111Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6