KW-8232 free base - ≥95% , CAS No.170365-25-0

CAS: 170365-25-0 Cat. No.: K650102 Fórmula: C₃₆H₃₇ClN₄O₃ Peso molecular: 609.16 PubChem CID: 3025960

GRADE & PURITY ≥95%

Synonyms

Kw 8232 | SCHEMBL9079942 | HY-100304 | Piperazine, 1-((3-(bis(4-hydroxyphenyl)methyl)-1-(2-(dimethylamino)ethyl)-1H-indol-2-yl)carbonyl)-4-(2-chlorophenyl)- | BK177443 | MS-30686 | Methanone, (3-(bis(4-hydroxyphenyl)methyl)-1-(2-(dimethylamino)ethyl)-1H-i

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

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

Specifications

Sinónimos

Kw 8232 | SCHEMBL9079942 | HY-100304 | Piperazine, 1-((3-(bis(4-hydroxyphenyl)methyl)-1-(2-(dimethylamino)ethyl)-1H-indol-2-yl)carbonyl)-4-(2-chlorophenyl)- | BK177443 | MS-30686 | Methanone, (3-(bis(4-hydroxyphenyl)methyl)-1-(2-(dimethylamino)ethyl)-1H-i

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: 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
• CAS alternativo: 170365-25-0
• PubChem CID: 3025960
• Termos de entrada MeSH: 3-(bis(4-hydroxyphenyl)methyl)-2-(4-(2-chlorophenyl)-piperazin-1-ylcarbonyl)-1-(2-dimethylaminoethyl)indole methanesulfonate;KW 8232;KW-8232
• Peso molecular: 609.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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