| Identification | Back Directory | [Name]
VX-745 | [CAS]
209410-46-8 | [Synonyms]
CS-1918
VD31745
VX-745, >=96%
VX-745(VX 745)
VX-745 (Free base)
NEFLAMAPIMOD;VX 745
Naluzotan Hydrochloride
Neflamapimod (VX745, VRT031745
5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenylthio)-6H-pyrimido[1,6-b]pyridazin-6-one
5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-b]pyridazin-6-on
5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one
5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-B]pyridazine-6-one
5-(2,6-Dichloro-phenyl)-2-(2,4-difluoro-phenylsulfanyl)-1,7,8a-triaza-naphthalen-6-one
6H-PYRIMIDO[1,6-B]PYRIDAZIN-6-ONE, 5-(2,6-DICHLOROPHENYL)-2-[(2,4-DIFLUOROPHENYL)THIO]-
5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenylsulfanyl)-6H-pyriMido[3,4-b]pyridazin-6-one
6H-PYRIMIDO[1,6-B]PYRIDAZIN-6-ONE, 5-(2,6-DICHLOROPHENYL)-2-[(2,4-DIFLUOROPHENYL)THIO]- (9CI)
5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one VX-745
VX-745 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-b]pyridazin-6-one | [Molecular Formula]
C19H9Cl2F2N3OS | [MDL Number]
MFCD09834070 | [MOL File]
209410-46-8.mol | [Molecular Weight]
436.26 |
| Chemical Properties | Back Directory | [Melting point ]
261-264 °C | [Boiling point ]
578.9±60.0 °C(Predicted) | [density ]
1.55±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
≥21.8 mg/mL in DMSO; insoluble in H2O; ≥2.1 mg/mL in EtOH with gentle warming and ultrasonic | [form ]
powder | [pka]
-0.97±0.40(Predicted) | [color ]
white to beige | [InChI]
1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | [InChIKey]
VEPKQEUBKLEPRA-UHFFFAOYSA-N | [SMILES]
FC1=C(SC2=NN(C=N3)C(C=C2)=C(C4=C(Cl)C=CC=C4Cl)C3=O)C=CC(F)=C1 |
| Hazard Information | Back Directory | [Description]
VX-745 is an inhibitor of p38α MAPK (IC50 = 9 nM).1 It is selective for p38α over p38β MAPK (Ki = 220 nM) as well as ERK, JNK, and a panel of 50 kinases when used at a concentration of 2 μM. VX-745 inhibits LPS-induced production of IL-1β and TNF-α in isolated human peripheral blood mononuclear cells (PBMCs; IC50s = 45 and 51 nM, respectively). It reduces disease severity in a type II collagen-induced mouse model of arthritis when administered at a dose of 10 mg/kg. | [Chemical Properties]
Pale Yellow Solid | [Uses]
VX 745 is a potent and selective inhibitor of p38α mitogen-activated protein (MAP) kinase. VX 745 is a potential anti-inflammatory agents. Studies suggest that VX 745 may be useful in the treatment of
Werner syndrome. | [Definition]
ChEBI: A member of the class of pyrimidopyridazines that is 6H-pyrimido[1,6-b]pyridazin-6-one substituted at positions 2 and 5 by (2,4-difluorophenyl)sulfanyl and 2,6-dichlorophenyl groups respectively | [Biochem/physiol Actions]
VX-745 is a selective blood-brain barrier penetrant inhibitor of p38 MAPKα. VX-745 showed 20-fold selectivity for p38α over p38β and a Ki value of 220 nM. VX-745 has been shown to reduce inflammation in an arthritic (AIA) mouse model and to improve performance in aged rats. | [storage]
-20°C | [References]
[1]. bagley, m.c., et al., microwave-assisted ullmann c-s bond formation: synthesis of the p38alpha mapk clinical candidate vx-745. j org chem, 2009. 74(21): p. 8336-42.
[2]. dent, p., et al., mapk pathways in radiation responses. oncogene, 2003. 22(37): p. 5885-96.
[3]. dominguez, c., d.a. powers, and n. tamayo, p38 map kinase inhibitors: many are made, but few are chosen. curr opin drug discov devel, 2005. 8(4): p. 421-30.
[4]. duffy, j.p., et al., the discovery of vx-745: a novel and selective p38alpha kinase inhibitor. acs med chem lett, 2011. 2(10): p. 758-63.
[5]. bagley, m.c., et al., gram-scale synthesis of the p38alpha mapk-inhibitor vx-745 for preclinical studies into werner syndrome. future med chem, 2010. 2(9): p. 1417-27. |
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J & K SCIENTIFIC LTD.
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China Langchem Inc.
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NCE Biomedical Co.,Ltd.
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