CAS Number156053-89-3
SynonymsAlvimopan; N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine; N-{(2S)-2-Benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine; Unii-Q153V49p3z
Molecular FormulaC25H32N2O4
Molecular Weight424.53
Purity≥98 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point684.1±55.0 °C at 760 mmHg
Melting Point210-213ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 156053-89-3 |
| Catalog No. | 2A-9060229 |
| Chinese Name | 爱维莫潘 |
| Synonyms | Alvimopan; N-{(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl}glycine; N-{(2S)-2-Benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine; Unii-Q153V49p3z |
| Molecular Formula | C25H32N2O4 |
| Molecular Weight | 424.53 |
| Purity | ≥98 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 684.1±55.0 °C at 760 mmHg |
| Melting Point | 210-213ºC |
| Appearance | powder |
| Storage Condition | 2-8°C |
| Application | Alvimopan (LY 246736; ADL 8-2698) is a novel oral peripheral opioid receptor (PAM-OR) antagonist with an IC50 of 1.7 nM. |
| HTC | 2933399090 |
| PubChem ID | 329825803 |
| MDL Number | MFCD09838268 |
| SMILES | C[C@H]1CN(C[C@@H](C(NCC(O)=O)=O)CC2=CC=CC=C2)CC[C@]1(C3=CC=CC(O)=C3)C |
| 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 |
| InChI Key | UPNUIXSCZBYVBB-JVFUWBCBSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/60229_1_156053_89_3.pdf |
| Use of | Properties Name Alvimopan Synonym More Synonyms Alvimopan Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Opioid Receptor Signaling Pathways >> Neuronal Signaling >> Opioid Receptor Research Areas >> Metabolic Disease References [1]. NCBI BioAssay: 325959 [2]. Cassel JA, et al. [(3)H]Alvimopan binding to the micro opioid receptor: comparative binding kinetics of opioid antagonists. Eur J Pharmacol. 2005 Sep 27;520(1-3):29-36. [3]. Viscusi ER, et al. Alvimopan, a peripherally acting mu-opioid receptor antagonist, compared with placebo in postoperative ileus after major abdominal surgery: results of a randomized, double-blind, controlled study. Surg Endosc. 2006 Jan;20(1):64-70. [4]. Fukuda H, et al. The selective mu opioid receptor antagonist, alvimopan, improves delayed GI transit of postoperative ileus in rats. Brain Res. 2006 Aug 2;1102(1):63-70. [5]. Delaney CP, et al. Phase III trial of alvimopan, a novel, peripherally acting, mu opioid antagonist, for postoperative ileus after major abdominal surgery. Dis Colon Rectum. 2005 Jun;48(6):1114-25; discussion 1125-6; author reply 1127-9. Chemical & Physical Properties Molecular Formula C25H32N2O4 Exact Mass 424.236206 PSA 89.87000 Index of Refraction 1.572 InChIKey UPNUIXSCZBYVBB-JVFUWBCBSA-N Safety Information GHS07, GHS09 Signal Word Warning Hazard Statements H315-H319-H400 Precautionary Statements P273-P280-P305 + P351 + P338-P337 + P313-P391 HS Code 2933399090 Synthetic Route CAS#:145603-86-7 CAS#:156053-89-3 Literature: Zimmerman, Dennis M.; Gidda, Jaswant S.; Cantrell, Buddy E.; Schoepp, Darryle D.; Johnson, Bryan G.; Leander, J. David Journal of Medicinal Chemistry, 1994 , vol. 37, # 15 p. 2262 - 2265 ethyl 2-benzyla... CAS#:20593-63-9 CAS#:156053-89-3 Literature: Journal of Medicinal Chemistry, , vol. 37, # 15 p. 2262 - 2265 (+)-(3R,4R)-3,4... CAS#:119193-19-0 CAS#:156053-89-3 Literature: Journal of Medicinal Chemistry, , vol. 37, # 15 p. 2262 - 2265 Precursor & DownStream Precursor 3 CAS#:20593-63-9 ethyl 2-benzyla... CAS#:119193-19-0 (+)-(3R,4R)-3,4... CAS#:147383-72-0 Benzenepropanoi... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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