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1315355-93-1

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1315355-93-1 Structure

1315355-93-1 Structure
IdentificationBack Directory
[Name]

NG-25
[CAS]

1315355-93-1
[Synonyms]

NG25
NG-25
NG 25; NG-25
HG-7-92-01 (NG 25)
NG-25 ISO 9001：2015 REACH
N-[4-[(4-Ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
3-((1H-Pyrrolo[2,3-b]pyridin-4-yl)oxy)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methylbenzamide
3-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3v-(trifluoromethyl)phenyl)-4-methylbenzamide
Benzamide, N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-
[Molecular Formula]

C29H30F3N5O2
[MDL Number]

MFCD19443255
[MOL File]

1315355-93-1.mol
[Molecular Weight]

537.58
Chemical PropertiesBack Directory
[density ]

1.313±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO
[form ]

powder
[pka]

12.91±0.70(Predicted)
[color ]

white to beige
[Water Solubility ]

H2O: 5mg/mL, clear
[InChIKey]

SMPGEBOIKULBCT-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=C(CN2CCN(CC)CC2)C(C(F)(F)F)=C1)(=O)C1=CC=C(C)C(OC2C=CN=C3NC=CC3=2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H413
[Precautionary statements ]

P273-P301+P310+P330
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 4
Hazard InformationBack Directory
[Uses]

NG 25 inhibits TGF-beta-activated kinase 1 (TAK1). It also inhibits LYN, mitogen-activated protein kinase (MAP4K2) and Abl kinase activity.
[Biochem/physiol Actions]

NG25 is potent multiple kinase inhibitor belonging to type II kinase inhibitors class that binds to kinase ATP binding pocket at not ready to catalyze conformation. NG25 is used as a potent dual inhibitor of TAK1 (TGFβ-Activated Kinase 1, MAP3K7) and MAP4K2 (Mitogen-Activated Protein Kinase Kinase Kinase Kinase 2; GCK) kinases. NG25 inhibits the activation of IKKa/IKKb and prevents the secretion of type 1 IFNs by TLR2 and TLR9 agonist.
[IC 50]

MAP4K2: 21.7 nM (IC50); TAK1: 149 nM (IC50); LYN: 12.9 nM (IC50); GSK: 56.4 nM (IC50); ABL,ARG: 75.2 nM (IC50); FER: 82.3 nM (IC50); SRC: 113 nM (IC50); Eph B2: 672 nM (IC50); ZAK: 698 nM (IC50); Eph A2: 773 nM (IC50); Eph B4: 999 nM (IC50); ZC1/HGK: 3250 nM (IC50); RAF1: 7590 nM (IC50)
[storage]

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

NG-25(1315355-93-1)1HNMR
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