≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
BAN ORL 24 is a nociceptin/orphanin FQ (N/OFQ) peptide receptor (NOP) antagonist. BAN ORL 24 has antagonistic effect for nociceptin (NOP) receptor with K I value of 0.24 nM in CHO cell. BAN ORL 24 can be used for the research of cancer and analgesic
In Vitro
BAN ORL 24 has antagonist for NOR and MOR (opioid receptor subtype) with IC 50 values of 50 μM and 0.224 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
BAN ORL 24 (10 mg/kg; i.v.) attenuates the duration of BPRIM97 thermal antinociception. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: C57BL/6 miceDosage: 10 mg/kg Administration: 10 mg/kg; i.v. Result: Caused inhibition of BPRIM97-induced antinociception at 90-min postinjection. Did not attenuate BPR1M97-induced antinociception in the tail-clip test after 30 min.
Form:Solid
IC50& Target:Ki: 0.24 nM (NOP in CHO cell),IC50: 50 μM (NOR),0.224 μM (MOR)
| Canonical Smiles | C1CC(N(C1)CC2=CC=CC=C2)C(=O)NCCCN3CCC4(CC3)C5=CC=CC=C5CO4.Cl.Cl |
|---|---|
| IUPAC Name | (2R)-1-benzyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)pyrrolidine-2-carboxamide;dihydrochloride |
| InChIKey | NEEVITHVDIQNJY-KHZPMNTOSA-N |
| INCHI | 1S/C27H35N3O2.2ClH/c31-26(25-12-6-17-30(25)20-22-8-2-1-3-9-22)28-15-7-16-29-18-13-27(14-19-29)24-11-5-4-10-23(24)21-32-27;;/h1-5,8-11,25H,6-7,12-21H2,(H,28,31);2*1H/t25-;;/m1../s1 |
| Isomeric SMILES | C1C[C@@H](N(C1)CC2=CC=CC=C2)C(=O)NCCCN3CCC4(CC3)C5=CC=CC=C5CO4.Cl.Cl |
| Alternate CAS | 475150-69-7 |
| Molecular Weight | 506.51 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Proline and derivatives |
| Alternative Parents | Alpha amino acid amides Isobenzofurans Isocoumarans Benzylamines Pyrrolidinecarboxamides Phenylmethylamines Aralkylamines N-alkylpyrrolidines Piperidines Secondary carboxylic acid amides Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Proline or derivatives - Alpha-amino acid amide - Isocoumaran - Isobenzofuran - Pyrrolidine-2-carboxamide - Benzylamine - Phenylmethylamine - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrrolidine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrochloride - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Solubility | DMSO : 200 mg/mL (394.86 mM; Need ultrasonic) H2O : 100 mg/mL (197.43 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 506.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 505.226 Da |
| Monoisotopic Mass | 505.226 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 612.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
