KW-8232 - ≥98% , CAS No.217813-15-5

CAS: 217813-15-5 Cat. No.: K651007 Molecular Weight: 705.26 PubChem CID: 9853157

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

KW-8232, 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

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

KW-8232, an orally active anti-osteoporotic agent, and can reduces the biosynthesis of PGE2.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• 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.CS(=O)(=O)O
• IUPAC Name: [3-[bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]indol-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone;methanesulfonic acid
• InChIKey: YBHZOINCWYRXCE-UHFFFAOYSA-N
• INCHI: 1S/C36H37ClN4O3.CH4O3S/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;1-5(2,3)4/h3-18,33,42-43H,19-24H2,1-2H3;1H3,(H,2,3,4)
• 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.CS(=O)(=O)O
• PubChem CID: 9853157
• 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: 705.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• 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 Sulfonyls Alkanesulfonic acids Organosulfonic acids Heteroaromatic compounds Methanesulfonates Amino acids and derivatives Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Phenylpiperazine - N-arylpiperazine - N-alkylindole - 3-alkylindole - Indole or derivatives - Indole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Tertiary aliphatic/aromatic amine - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Aryl halide - Piperazine - Aryl chloride - 1,4-diazinane - Substituted pyrrole - Heteroaromatic compound - Alkanesulfonic acid - Tertiary carboxylic acid amide - Methanesulfonate - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (177.24 mM; Need ultrasonic)