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1111556-37-6

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1111556-37-6 Structure

1111556-37-6 Structure
IdentificationBack Directory
[Name]

Takinib
[CAS]

1111556-37-6
[Synonyms]

Takinib
EDHS-206
Takinib >=98% (HPLC)
N-(1-Propyl-1H-benzo[d]imidazol-2-yl)isophthalamide
N1-(1-Propyl-1H-benzo[d]imidazol-2-yl)isophthalamide
3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide
1,3-Benzenedicarboxamide, N1-(1-propyl-1H-benzimidazol-2-yl)-
1-N-(1-propyl-1H-1,3-benzodiazol-2-yl)benzene-1,3-dicarboxamide
[Molecular Formula]

C18H18N4O2
[MDL Number]

MFCD11822633
[MOL File]

1111556-37-6.mol
[Molecular Weight]

322.36
Chemical PropertiesBack Directory
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:30.0(Max Conc. mg/mL);93.06(Max Conc. mM)
[form ]

A solid
[pka]

12.13±0.43(Predicted)
[color ]

White to off-white
[SMILES]

CCCN1C2=CC=CC=C2N/C1=N\C(C3=CC(C(N)=O)=CC=C3)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Takinib has been used as an inhibitor of transforming 28 growth factor - β-activated kinase -1 (TAK-1) in human leukemia monocytic THP-1 cells. It may be used as a TAK1 inhibitor in Jurk at cells.
[Biological Activity]

Takinib is a selective inhibitor of TAK1/MAP3K7 kinasewhich is a member of the MAP3K family and a key regulator of cell death. It binds in the TAk1 ATPbinding pocket with an IC50 value of 9.5 nM. Takinib selectively induced apoptosis following TNF-α stimulation in rheumatoid arthritis and breast cancer.
[in vivo]

Takinib (50 mg/kg; intraperitoneally; daily from days 18-36) reduces the clinical score in type II collagen-induced arthritis (CIA) mouse model of rheumatoid arthritis[4].
Takinib (50 mg/kg; oral gavage; daily until 17 days) slows tumor growth in the Hodgkin lymphoma xenograft NSG mice[5].

Animal Model:Male DBA/1 mice (CIA arthritis model)[4]
Dosage:50 mg/kg
Administration:Intraperitoneally; daily from days 18-36
Result:Showed a reduction in clinical arthritic score compared to vehicle control.
Animal Model:Female NSG mice (8 weeks old)[5]
Dosage:50 mg/kg
Administration:Oral gavage; daily until 17 days
Result:Slowed tumor growth and reduced tumor size/weight.
[IC 50]

TAK1: 9.5 nM (IC50); IRAK4: 120 nM (IC50); IRAK1: 390 nM (IC50); GCK: 430 nM (IC50); CLK2: 430 nM (IC50); MINK1: 1.9 μM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Takinib(1111556-37-6)1HNMR
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