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N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate

Alvimopan dihydrate

CAS: 170098-38-1

Molecular Formula: C25H36N2O6

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N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate - Names and Identifiers

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

N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate - Physico-chemical Properties

Molecular FormulaC25H36N2O6
Molar Mass460.57
Density1.166g/cm3
Melting Point210-213°
Boling Point684.1°C at 760 mmHg
Specific Rotation(α)D25 +51.8° (c = 1.0 in DMSO)
Flash Point367.5°C
Vapor Presure1.18E-19mmHg at 25°C
Storage Condition2-8°C
Refractive Index1.572
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.

N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate - Preparation solution concentration reference

 1mg5mg10mg
1 mM2.171 ml10.856 ml21.713 ml
5 mM0.434 ml2.171 ml4.343 ml
10 mM0.217 ml1.086 ml2.171 ml
5 mM0.043 ml0.217 ml0.434 ml
Last Update：2024-01-02 23:10:35

N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate - Reference Information

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)
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)
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
N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate
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Shanghai Yuanye Bio-Technology Co., Ltd.
Product Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperi dyl]propanoyl]amino]acetic acid dihydrate Visit Supplier Webpage Request for quotation
CAS: 170098-38-1
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Shanghai Yuanye Bio-Technology Co., Ltd.
Product Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperi dyl]propanoyl]amino]acetic acid dihydrate Visit Supplier Webpage Request for quotation
CAS: 170098-38-1
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
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N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine dihydrate
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