≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
KW-8232 free base, an orally active anti-osteoporotic agent, and can reduces the biosynthesis of PGE2
In Vitro
KW-8232 is an anti-osteoporotic agent. KW-8232 reduces the biosynthesis of PGE 2 in mouse osteoblastic cells. KW-8232 possesses anti-viral activity against SARS-CoV-2 (EC 50 ~1.2 μM ). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
KW-8232 (3, 10, 30 mg/kg, p.o.) potently increases the femoral bone mineral density (BMD) of immobilized legs of rats, and affects immobilization-induced abnormal bone turnovrer. KW-8232 markedly decreases urinary calcium excreation in the neurectomized rats only at 30 mg/kg, and highly reduces urinary pyridinoline and deoxypyridionline excretion which are markers of bone resorption in neurectomized rats. KW-8232 inhibits bone loss may be attributed to the lower prostaglandins (PGs)-stimulated bone resorption via regulation of PGE2 production . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: male Sprague-Dawley rats (5-week-old) . Dosage: 1, 3, 10, and 30 mg/kg. Administration: Orally once daily beginning 1 day prior to neurectomy for 28 days. Result: Decreased urinary calcium excreation in the neurectomized rats only at 30 mg/kg.
Form:Solid
IC50& Target:Prostaglandin Receptor
| Canonical Smiles | CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
|---|---|
| IUPAC Name | [3-[bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]indol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone |
| InChIKey | HESAJCAYRSKRSG-UHFFFAOYSA-N |
| INCHI | 1S/C36H37ClN4O3/c1-38(2)19-24-41-31-9-5-3-7-29(31)34(33(25-11-15-27(42)16-12-25)26-13-17-28(43)18-14-26)35(41)36(44)40-22-20-39(21-23-40)32-10-6-4-8-30(32)37/h3-18,33,42-43H,19-24H2,1-2H3 |
| Isomeric SMILES | CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N3CCN(CC3)C4=CC=CC=C4Cl)C(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O |
| Alternate CAS | 170365-25-0 |
| PubChem CID | 3025960 |
| MeSH Entry Terms | 3-(bis(4-hydroxyphenyl)methyl)-2-(4-(2-chlorophenyl)-piperazin-1-ylcarbonyl)-1-(2-dimethylaminoethyl)indole methanesulfonate;KW 8232;KW-8232 |
| Molecular Weight | 609.16 |
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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 | Phenylpiperazines N-arylpiperazines Indolecarboxamides and derivatives 3-alkylindoles N-alkylindoles 2-heteroaryl carboxamides Pyrrole carboxamides Aniline and substituted anilines Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Substituted pyrroles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Phenylpiperazine - N-arylpiperazine - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - 1,4-diazinane - Aryl chloride - Substituted pyrrole - Piperazine - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - 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 |
| Molecular Weight | 609.200 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 608.255 Da |
| Monoisotopic Mass | 608.255 Da |
| Topological Polar Surface Area | 72.200 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 893.000 |
| 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 | 1 |
