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Alvimopan

CAT: 0804-HY-13243-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13243-04Size:50 mg
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Description
Alvimopan (ADL 8-2698) is a potent, selective, orally active and reversible μ-opioid receptor antagonist, with an IC50 of 1.7 nM. Alvimopan has selectivity for μ-opioid receptor (Ki=0.47 nM) over κ- and δ-opioid receptors (Kis=100, 12 nM, respectively) . Alvimopan can be used for the research of postoperative ileus[1][2][3].
CAS Number
156053-89-3
Product Name Alternative
ADL 8-2698; LY 246736
UNSPSC
12352005
Hazard Statement
H315, H319, H400
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Neurological Disease; Cancer
Assay Protocol
https://www.medchemexpress.com/alvimopan.html
Purity
98.66
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(CNC([C@@H](CC1=CC=CC=C1)CN2C[C@@H]([C@](C3=CC=CC(O)=C3)(CC2)C)C)=O)O
Molecular Formula
C25H32N2O4
Molecular Weight
424.53
Precautions
H315, H319, H400
References & Citations
[1]Bourdonnec BL, et, al. Novel trans-3,4-dimethyl-4- (3-hydroxyphenyl) piperidines as mu opioid receptor antagonists with improved opioid receptor selectivity profiles. Bioorg Med Chem Lett. 2008 Mar 15;18 (6) :2006-12.|[2]Erowele GI, et, al. Alvimopan (Entereg), a Peripherally Acting mu-Opioid Receptor Antagonist For Postoperative Ileus. P T. 2008 Oct;33 (10) :574-83.|[3]Meerveld BG, et, al. Preclinical studies of opioids and opioid antagonists on gastrointestinal function. Neurogastroenterol Motil. 2004 Oct;16 Suppl 2:46-53.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
μ Opioid Receptor/MOR

Chemical Information

Alvimopan

Alvimopan is a peptide.

CAS Number156053-89-3
PubChem CID5488548
IUPAC Name2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
Molecular FormulaC25H32N2O4
Molecular Weight424.5
XLogP1.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity606
SMILES
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O
InChI
InChI=1S/C25H32N2O4/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)/t18-,20-,25+/m0/s1
InChIKey
UPNUIXSCZBYVBB-JVFUWBCBSA-N
Chemical Structure
2D Structure
2D structure of Alvimopan
CAS: 156053-89-3
CID: 5488548
Formula: C25H32N2O4
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass424.23620751
Monoisotopic Mass424.23620751
Topological Polar Surface Area89.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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