170098-38-1

Name	Alvimopan dihydrate
Synonyms	Entereg Alvimopan hydrate Alvimopan dihydrate 156053-89-3 (Anhydrous) N-{(2S)-2-Benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperi dyl]propanoyl]amino]acetic acid dihydrate Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-, dihydrate (((2S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)methyl)-3-phenylpropanoyl)amino)acetic acid dihydrate [[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid dihydrate [[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-phenylpropanoyl]amino]acetic acid dehydrate 2-([(2S)-2-([(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl)-3-phenylpropanoyl]amino)acetic acid dihydrate
CAS	170098-38-1
InChI	InChI:1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30);2*1H2

Molecular Formula	C25H36N2O6
Molar Mass	460.57
Density	1.166g/cm³
Melting Point	210-213°
Boling Point	684.1°C at 760 mmHg
Specific Rotation(α)	D25 +51.8° (c = 1.0 in DMSO)
Flash Point	367.5°C
Vapor Presure	1.18E-19mmHg at 25°C
Storage Condition	2-8°C
Refractive Index	1.572
In vitro study	Alvimopan inhibits the loperamide-stimulated [ 35 S]GTPγS binding to membranes containing the cloned human μ-opioid receptor, with an IC 50 of 1.7 nM.
In vivo study	Alvimopan (0.1-1.0 mg/kg; p.o.) partially antagonizes the slowing of small intestinal transit of 113 Sn-labelled microspheres produced by morphine in rats. Alvimopan (3 mg/kg; p.o.) has no effect on the visceromotor behavioural responses (VMR) induced by noxious colorectal distension (CRD) in conscious rats.

Last Update：2024-01-02 23:10:35

biological activity	Alvimopan (LY-246736) is an effective and relatively non-selective opioid antagonist with Ki values of 0.77, 4.4 and 40 nM for μ, δ and κ opioid receptors respectively, the selective ratio is more than 100 times higher than that of other amine G protein coupled receptors
target	TargetValue μ-opioid receptor (Cell-free assay) 0.77 nM(Ki) δ-opioid receptor (Cell-free assay) 4.4 nM(Ki) κ-opioid receptor (Cell-free assay) 40 nM(Ki)
Target	Value
μ-opioid receptor (Cell-free assay)	0.77 nM(Ki)
δ-opioid receptor (Cell-free assay)	4.4 nM(Ki)
κ-opioid receptor (Cell-free assay)	40 nM(Ki)
in vitro study	Alvimopan inhibits the loperamide-stimulated [ 35 S]GTP γ S binding to membranes containing the cloned human μ-opioid receptor, with an IC 50 of 1.7 nM.
in vivo study	Alvimopan (0.1-1.0 mg/kg; P. o.) partially antagonizes the slowing of small intestinal transit of 113 Sn-labeled microspheres produced by morphine in rats. Alvimopan (3 mg/kg; P. o.) has no effect on the visceromotor behavioural responses (VMR) induced by noxious colorectal distension (CRD) in conscious rats.

Last Update：2024-04-10 22:29:15

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