≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
Encequidar mesylate (HM30181 mesylate; HM30181A mesylate) is a competitive and potent P-glycoprotein inhibitor.
In Vitro
Treatment of 0.1 or 1 nM Encequidar (HM30181) lead to 20 and 42% inhibition of survival at the 100 nM and 1000 nM NSC 125973 treatment, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
The plasma concentrations of Encequidar (HM30181) are higher for the simultaneous administration with the microcapsule than with the powder; providing significant differences from 1 to 2 h. The microcapsule has about a 1.7-fold faster T max and a 1.6-fold higher AUC value compared with the powder (2.5±0.6 vs. 4.3±0.9 h; 107.7±20.1 vs. 64.3±18.0 h ng/mL). The faster and overall improved absorption of Encequidar (HM30181) in microcapsule form might be due to the remarkable enhancement of the aqueous solubility and dissolution resulting from its crystalline conversion to the amorphous form and particle size reduction . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:P-glycoprotein
| Canonical Smiles | COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC.CS(=O)(=O)O |
|---|---|
| IUPAC Name | N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide;methanesulfonic acid |
| InChIKey | PEKXWELLWNPUOK-UHFFFAOYSA-N |
| INCHI | 1S/C38H36N6O7.CH4O3S/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36;1-5(2,3)4/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46);1H3,(H,2,3,4) |
| Isomeric SMILES | COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC.CS(=O)(=O)O |
| Alternate CAS | 849675-87-2 |
| PubChem CID | 76971350 |
| Molecular Weight | 784.83 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Chromones Phenyltetrazoles and derivatives Tetrahydroisoquinolines Dimethoxybenzenes Methoxyanilines Phenethylamines Phenoxy compounds Anisoles 2-heteroaryl carboxamides Pyranones and derivatives Alkyl aryl ethers Aralkylamines Alkanesulfonic acids Organosulfonic acids Sulfonyls Heteroaromatic compounds Methanesulfonates Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Aromatic anilide - Phenyltetrazole - Chromone - Tetrahydroisoquinoline - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzopyran - Methoxyaniline - Phenethylamine - Phenol ether - 2-heteroaryl carboxamide - Methoxybenzene - Anisole - Phenoxy compound - Pyranone - Alkyl aryl ether - Aralkylamine - Pyran - Azole - Methanesulfonate - Heteroaromatic compound - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetrazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 25 mg/mL (31.85 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 784.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 11 |
| Exact Mass | 784.253 Da |
| Monoisotopic Mass | 784.253 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 1310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
