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1338247-35-0

1338247-35-0 Structure

1338247-35-0 Structure
IdentificationBack Directory
[Name]

N-(5-(1-(2,6-dichlorophenyl)-3-(difluoroMethyl)-1H-pyrazol-5-yl)thiazol-2-yl)isobutyraMide
[CAS]

1338247-35-0
[Synonyms]

LIMKI-3
CS-2190
BMS-5 ≥95%
BMS 5;BMS5
BMS-5, LIMKI-3
LIMKI-3;BMS5;BMS 5;LIMKI3;LIMKI 3
N-(5-(1-(2,6-dichlorophenyl)-3-(difluoroMethyl)-1H-pyrazol-5-yl)thiazol-2-yl)isobutyraMide
N-[5-[1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl]-2-thiazolyl]-2-methylpropanamide
Propanamide, N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl]-2-thiazolyl]-2-methyl-
N-{5-[1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl]- 1,3-thiazol-2-yl}-2-methylpropanamide
Mitoquinone mesylateN-{5-[1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl]- 1,3-thiazol-2-yl}-2-methylpropanamide
[Molecular Formula]

C17H14Cl2F2N4OS
[MDL Number]

MFCD17019327
[MOL File]

1338247-35-0.mol
[Molecular Weight]

431.29
Chemical PropertiesBack Directory
[density ]

1.54±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO:PBS (pH 7.2) (1:5):0.2(Max Conc. mg/mL);0.46(Max Conc. mM)
Ethanol:3.0(Max Conc. mg/mL);6.96(Max Conc. mM)
[form ]

White powder.
[pka]

9.51±0.50(Predicted)
[color ]

White to off-white
[InChI]

1S/C17H14Cl2F2N4OS/c1-8(2)16(26)23-17-22-7-13(27-17)12-6-11(15(20)21)24-25(12)14-9(18)4-3-5-10(14)19/h3-8,15H,1-2H3,(H,22,23,26)
[InChIKey]

IVUGBSGLHRJSSP-UHFFFAOYSA-N
[SMILES]

ClC1=CC=CC(Cl)=C1N2N=C(C=C2C3=CN=C(NC(C(C)C)=O)S3)C(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P280
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

LIMKi 3 is a LIM kinase 1 (LIMK1) inhibitor that has antitumor properties.
[Definition]

ChEBI: LimKi 3 is a member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2. It has a role as a LIM kinase inhibitor. It is a member of pyrazoles, a member of 1,3-thiazoles, a dichlorobenzene, an organofluorine compound and a secondary carboxamide.
[Biological Activity]

Cell permeable: yes''Primary Target
LIMK1 and LIMK2''Reversible: yes''Secondary Target
AMPKA1AMPKA2DDR1PAK3DCAMKL2''Target IC50: 7 and 8 nM against LIMK1 and LIMK2respectively
[in vivo]

BMS-5 (LIMKi 3) (20 or 200 μM/side) is bilaterally infused into the hippocampus of rats immediately after contextual fear conditioning training. Rats are tested for memory consolidation 48 h after fear conditioning. Post hoc analysis shows that the group treated with 200 μM BMS-5 express lower freezing levels compared to the 20 μM and vehicle groups (P<0.01)[3].

[IC 50]

LIMK1: 7 nM (IC50); LIMK2: 8 nM (IC50)
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

N-(5-(1-(2,6-dichlorophenyl)-3-(difluoroMethyl)-1H-pyrazol-5-yl)thiazol-2-yl)isobutyraMide(1338247-35-0)1HNMR
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