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 |
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: | 111Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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