N-2′-Indolylnaltrexamine

N-2'-Indolylnaltrexamine
Identifiers
PubChem CID	102340665;
ChemSpider	58136807;
ChEMBL	ChEMBL3319610;
CompTox Dashboard (EPA)	DTXSID901032384 ;
Chemical and physical data
Formula	C29H31N3O4
Molar mass	485.584 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H]3CC[C@]4([C@H]5Cc6ccc(c7c6[C@]4([C@H]3O7)CCN5CC8CC8)O)O;
	InChI InChI=1S/C29H31N3O4/c33-22-8-7-18-14-23-29(35)10-9-20(31-27(34)21-13-17-3-1-2-4-19(17)30-21)26-28(29,24(18)25(22)36-26)11-12-32(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,30,33,35H,5-6,9-12,14-15H2,(H,31,34)/t20-,23-,26+,28+,29-/m1/s1; Key:FANZOSRNSKEJDL-XSGLBDKUSA-N;

N-2′-Indolylnaltrexamine (INTA) is an opioid and derivative of β-naltrexamine. This molecule is loosely derived from the classical opioid morphine. This experimental drug candidate is under development as a κ-opioid receptor agonist for pain management with fewer adverse side effects. Preclinical study in mice showed potent analgesic effects with no tolerance or dependence. The mice also showed no adverse effects in the conditioned place aversion assay.

Identifiers

PubChem CID	102340665
ChemSpider	58136807
ChEMBL	ChEMBL3319610
CompTox Dashboard (EPA)	DTXSID901032384
Chemical and physical data
Formula	C₂₉H₃₁N₃O₄
Molar mass	485.584 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H]3CC[C@]4([C@H]5Cc6ccc(c7c6[C@]4([C@H]3O7)CCN5CC8CC8)O)O
InChI InChI=1S/C29H31N3O4/c33-22-8-7-18-14-23-29(35)10-9-20(31-27(34)21-13-17-3-1-2-4-19(17)30-21)26-28(29,24(18)25(22)36-26)11-12-32(23)15-16-5-6-16/h1-4,7-8,13,16,20,23,26,30,33,35H,5-6,9-12,14-15H2,(H,31,34)/t20-,23-,26+,28+,29-/m1/s1 Key:FANZOSRNSKEJDL-XSGLBDKUSA-N