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Neflamapimod

CAT: 0804-HY-10328-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-10328-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Neflamapimod (VX-745) is a potent, blood-brain barrier penetrant, highly selective inhibitor of p38α inhibitor with an IC50 for p38α of 10 nM and for p38β of 220 nM. Neflamapimod (VX-745) possesses anti-inflammatory activity.
CAS Number
209410-46-8
Product Name Alternative
VX-745
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; p38 MAPK
Type
Reference compound
Related Pathways
Autophagy; MAPK/ERK Pathway
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/VX-745.html
Concentration
10mM
Purity
99.32
Solubility
DMSO : 12.5 mg/mL (ultrasonic)
Smiles
O=C1N=CN(C(C=C2)=C1C3=C(Cl)C=CC=C3Cl)N=C2SC4=CC=C(F)C=C4F
Molecular Formula
C19H9Cl2F2N3OS
Molecular Weight
436.26
Precautions
H302, H315, H319, H335
References & Citations
[1]Duffy JP, et al. The Discovery of VX-745: A Novel and Selective p38α Kinase Inhibitor. ACS Med Chem Lett. 2011 Jul 28;2 (10) :758-63.|[2]Pradal J, et al. Intra-articular bioactivity of a p38 MAPK inhibitor and development of an extended-release system. Eur J Pharm Biopharm. 2015 Jun;93:110-7.|[3]Bagley MC, et al. Rapid synthesis of VX-745: p38 MAP kinase inhibition in Werner syndrome cells. Bioorg Med Chem Lett. 2007 Sep 15;17 (18) :5107-10. Epub 2007 Jul 13.|[4]Hideshima T, et al. Targeting p38 MAPK inhibits multiple myeloma cell growth in the bone marrow milieu. Blood, 2003, 101 (2), 703-705.|[5]Cicenas J, et al. JNK, p38, ERK, and SGK1 Inhibitors in Cancer. Cancers (Basel) . 2017 Dec 21;10 (1) .|[6]Alam JJ. Selective Brain-Targeted Antagonism of p38 MAPKα Reduces Hippocampal IL-1β Levels and Improves Morris Water Maze Performance in Aged Rats. J Alzheimers Dis. 2015;48 (1) :219-27.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
P38α; p38β

Chemical Information

5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido(1,6-b)pyridazin-6-one

VX-745 is 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. It has a role as an anti-inflammatory drug, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a dichlorobenzene, an aryl sulfide, a difluorobenzene and a pyrimidopyridazine.

CAS Number209410-46-8
PubChem CID3038525
IUPAC Name5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one
Molecular FormulaC19H9Cl2F2N3OS
Molecular Weight436.3
XLogP5.1
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity762
SMILES
C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl
InChI
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
Chemical Structure
2D Structure
2D structure of 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido(1,6-b)pyridazin-6-one
CAS: 209410-46-8
CID: 3038525
Formula: C19H9Cl2F2N3OS
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.3
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass434.9811448
Monoisotopic Mass434.9811448
Topological Polar Surface Area70.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity762
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
203163Neflamapimod
S1458-10mM/1mLNeflamapimod (VX-745)
A10983-200Neflamapimod (VX-745) 200mg
A10983-25Neflamapimod (VX-745) 25mg

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