K-7174 dihydrochloride - ≥98% , CAS No.191089-60-8

CAS: 191089-60-8 Cat. No.: K650054 Molecular Weight: 641.67 PubChem CID: 9874190

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

K-7174 dihydrochloride is an orally active proteasome and GATA inhibitor. K-7174 dihydrochloride is a cell adhesion inhibitor. K-7174 dihydrochloride induces cell apoptosis. K-7174 dihydrochloride shows antitumor activities, it can be used for the research of cancer .

In Vitro

K-7174 dihydrochloride (10 μM; 1 h) inhibits the adhesion by VCAM-1 and its ligand. K-7174 dihydrochloride (1-30 μM; 1 h) dose-dependently suppresses the VCAM-1 expression with an IC 50 value of 14 μM. K-7174 dihydrochloride (1-30 μM; 1 h) dose-dependently suppresses the induction of VCAM-1 mRNA by TNFα with an IC 50 value of 9 μM. K-7174 dihydrochloride (10-20 μM; 24 h) dose-dependently rescues Epo production by Hep3B cells. K-7174 dihydrochloride (2.5-30 μM; 24 h) inhibits the binding activity of GATA. K-7174 dihydrochloride (0-25 μM; 72 h) inhibits MM cells growth and induces cell apoptosis. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: KMS12-BM, U266, and RPMI8226 cell lines Concentration: 0-25 μM Incubation Time: 72 h Result: Inhibited MM cells growth. Apoptosis AnalysisCell Line: KMS12-BM, U266, and RPMI8226 cell lines Concentration: 10 μM Incubation Time: 48 h Result: Significantly increased apoptosis of MM cells with the increasing percentage of annexin-V-positive cells.

In Vivo

K-7174 dihydrochloride (30 mg/kg; i.p. once daily for 9 days) reverses the decreasing of hemoglobin concentrations and reticulocyte counts by IL-1β or TNF-α. K-7174 dihydrochloride (75 mg/kg; i.p. once daily for 14 days) inhibits the tumor growth in vivo. K-7174 dihydrochloride (50 mg/kg; p.o. once daily for 14 days) inhibits the tumor growth in vivo and shows a better effect than intraperitoneal injection. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: ICR mice with IL-β or TNF-α injectionDosage: 30 mg/kg Administration: Intraperitoneal injection; 30 mg/kg once daily for 9 days Result: Increased erythropoietin (Epo) production, reticulocyte counts, and hemoglobin (Hb) concentrations. Animal Model: NOD/SCID mice with murine xenograftDosage: 75 mg/kg Administration: Intraperitoneal injection; once daily for 14 days Result: Significantly decreased tumor volume, but showed a significant body weight reduction after 10 days. Animal Model: NOD/SCID mice with murine xenograftDosage: 50 mg/kg Administration: Oral gavage; once daily for 14 days Result: Showed an anti-myeloma activity. Porved oral administration is more effective than intraperitoneal injection.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

K-7174 dihydrochloride is an orally active proteasome and GATA inhibitor. K-7174 dihydrochloride is a cell adhesion inhibitor. K-7174 dihydrochloride induces cell apoptosis . K-7174 dihydrochloride shows antitumor activities, it can be used for the resear

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: COC1=CC(=CC(=C1OC)OC)C=CCCCN2CCCN(CC2)CCCC=CC3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl
• IUPAC Name: 1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane;dihydrochloride
• InChIKey: JKAQFPBRMVEHBD-CHBZAFCASA-N
• INCHI: 1S/C33H48N2O6.2ClH/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4;;/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3;2*1H/b14-9+,15-10+
• Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/CCCN2CCN(CCC2)CCC/C=C/C3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl
• PubChem CID: 9874190
• Molecular Weight: 641.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,4-diazepanes Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anisole - Styrene - Methoxybenzene - Phenoxy compound - 1,4-diazepane - Alkyl aryl ether - Diazepane - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: H2O : 15 mg/mL (23.38 mM; Need ultrasonic and warming)
• Molecular Weight: 641.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 640.305 Da
• Monoisotopic Mass: 640.305 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

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