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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
SDZ-201106 (±), (DPI-201106) is a Diphenylpiperazinylindole derivative. Positive inotropic and calcium sensitizing agent. Increases action potential duration (APD) of heart muscle. DPI 201-106 has been shown to increase the probability of the open state of the Na|+|channel, thus increasing the force of the contraction. Used to study mechanisms of restoring the myofibrillar Ca|2+|sensitivity and myosin enzymatic activity in diseased human hearts. Has both electron-donor and electron-acceptor activity.
| pKa | pKₐ: 13.99, pKₐ: 6.57 |
|---|---|
| Ki Data | Beta-2 adrenergic receptor: Ki= 57.3 nM (human) |
| Canonical Smiles | C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]-1H-indole-2-carbonitrile |
| InChIKey | BYBYHCOEAFHGJL-UHFFFAOYSA-N |
| INCHI | 1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2 |
| Isomeric SMILES | C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| RTECS | NL5993340 |
| PubChem CID | 5190 |
| Molecular Weight | 466.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Indoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Indole - Indole or derivatives - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Substituted pyrrole - Piperazine - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
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| Solubility | Soluble in DMSO (25 mg/ml), and ethanol(warm) (10 mg/ml). |
|---|---|
| Refractive Index | n20D1.69 (Predicted) |
| Boil Point(°C) | ~702.6° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 282.96° C (Predicted) |
| Molecular Weight | 466.600 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 466.237 Da |
| Monoisotopic Mass | 466.237 Da |
| Topological Polar Surface Area | 75.500 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 672.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |