ADL 08-0011 HCl

Name: ADL 08-0011 HCl
CAS#: 170098-43-8 (HCl)
Chemical Formula: C23H30ClNO3
Exact Mass: 403.1914
Molecular Weight: 403.947
Elemental Analysis: C, 68.39; H, 7.49; Cl, 8.78; N, 3.47; O, 11.88

Description: ADL 08-0011 is an active metabolite of the μ-opioid receptor antagonist alvimopan. It is produced from alvimopan via amide hydrolysis by gut microbiota. ADL 08-0011 is a μ-opioid receptor antagonist (Ki = 0.25 nM). It is selective for μ-opioid receptors over κ- and δ-opioid receptors (Kis = 15.8 and 31.6 nM, respectively). ADL 08-0011 inhibits endomorphin 1-induced inhibition of electrically induced contraction of isolated guinea pig ileum (pA2 = 9.4). In vivo, ADL 08-0011 (0.03-1 mg/kg) reverses loperamide-induced delayed gastric emptying in a rat model of castor oil-induced diarrhea.

Synonym: ADL 08-0011 HCl; ADL 080011 HCl; ADL 08 0011 HCl; ADL08-0011 HCl; ADL-08-0011 HCl; ADL 08 0011 HCl; ADL080011 HCl;

IUPAC/Chemical Name: (S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoic acid hydrochloride

InChi Key: GHNZFXKSUXOYEJ-HWHKPKNSSA-N

InChi Code: InChI=1S/C23H29NO3.ClH/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18;/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27);1H/t17-,19-,23+;/m0./s1

SMILES Code: C[C@@]1([C@@H](C)CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC1)C3=CC(O)=CC=C3.Cl

Appearance: Solid powder