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Nav1.7 blocker 1

CAT: 0804-HY-160663Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160663Size:1 Each
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Description
Nav1.7 blocker 1 (example 41) is a Na+ channel (Nav) blocker with an IC50 value of 0.037 μM. Nav1.7 blocker 1 can be used for the study of pain, including neuropathic pain, postoperative pain, inflammatory pain, and so on[1].
CAS Number
1426336-36-8
UNSPSC
12352005
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nav1-7-blocker-1.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=NC(C2=CC=C(OC3=CC=C(C=C3)F)C=C2)=NC(N4CCOCC4CO)=C1)N
Molecular Formula
C22H21FN4O4
Molecular Weight
424.42
References & Citations
[1]Chiyou Ni, et al. Pyrimidines as sodium channel blockers. WIPO. Patent. WO2013030665. 2013-03-07
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nav1.7 blocker 1
CAS Number1426336-36-8
PubChem CID71283649
IUPAC Name2-[4-(4-fluorophenoxy)phenyl]-6-[3-(hydroxymethyl)morpholin-4-yl]pyrimidine-4-carboxamide
Molecular FormulaC22H21FN4O4
Molecular Weight424.4
XLogP2.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity584
SMILES
C1COCC(N1C2=NC(=NC(=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)F)CO
InChI
InChI=1S/C22H21FN4O4/c23-15-3-7-18(8-4-15)31-17-5-1-14(2-6-17)22-25-19(21(24)29)11-20(26-22)27-9-10-30-13-16(27)12-28/h1-8,11,16,28H,9-10,12-13H2,(H2,24,29)
InChIKey
BLUJYESVOGVXSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nav1.7 blocker 1
CAS: 1426336-36-8
CID: 71283649
Formula: C22H21FN4O4
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass424.15468333
Monoisotopic Mass424.15468333
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity584
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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150978SLC7A11 (Cystine/Glutamate Transporter, Amino Acid Transport System xc-, Calcium Channel Blocker Resistance Protein CCBR1, Solute Carrier Family 7 Member 11, xCT)
MBS646410-01SLC7A11, ID (Cystine/Glutamate Transporter, Amino Acid Transport System xc-, Calcium Channel Blocker Resistance Protein CCBR1, Solute Carrier Family 7 Member 11, xCT)
148503SLC7A11, Control Peptide (Cystine/Glutamate Transporter, Amino Acid Transport System xc-, Calcium Channel Blocker Resistance Protein CCBR1, Solute Carrier Family 7 Member 11, xCT)
S5329-08LSLC7A11 (Cystine/Glutamate Transporter, Amino Acid Transport System xc-, Calcium Channel Blocker Resistance Protein CCBR1, Solute Carrier Family 7 Member 11, xCT) discontinued, see 150978
S5329-08KSLC7A11, ID (Cystine/Glutamate Transporter, Amino Acid Transport System xc-, Calcium Channel Blocker Resistance Protein CCBR1, Solute Carrier Family 7 Member 11, xCT) discontinued. See 150978

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