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About This Item
Empirical Formula (Hill Notation):
C29H30F3N5O2 · 3HCl
CAS Number:
Molecular Weight:
646.96
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
protect from light
Quality Segment
assay
≥98% (HPLC)
form
powder
storage condition
protect from light
color
white to beige
solubility
H2O: 5 mg/mL, clear
storage temp.
2-8°C
SMILES string
CC1=CC=C(C(NC2=CC=C(CN3CCN(CC)CC3)C(C(F)(F)F)=C2)=O)C=C1OC4=C(C=CN5)C5=NC=C4
InChI
1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
InChI key
SMPGEBOIKULBCT-UHFFFAOYSA-N
Application
NG25 trihydrochloride has been used as a transforming growth factor β (TGFβ)-activated kinase 1 inhibitor (TAK1) in human umbilical vein endothelial cells (HUVECs) and pulmonary artery smooth muscle cells.
Biochem/physiol Actions
NG25 is multiple kinase inhibitor; potent dia; omjobotpr pf TAK1 and MAP4K2 kinases.
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.
Other Notes
Light sensitive
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 4
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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