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NIK-250

CAT: 0013-GTR19196941-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196941-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NIK-250 is a small molecule inhibitor of P-glycoprotein (P-gp) . It has been shown to overcome multidrug resistance in human glioma cell lines in vitro, making it a useful research tool for studying drug efflux and resistance mechanisms in oncology.
CAS Number
1000817-20-8
Field of Research
Infectious Disease & Virology
Smiles
C (OCC=1C=CN=CC1) (=O) C=2C (C (C (OCC=3C=CN=CC3) =O) =C (C) NC2C) C4=C (C) SC=CS4
Molecular Formula
C26H25N3O4S2
Molecular Weight
507.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bis(pyridin-4-ylmethyl) 2,6-dimethyl-4-(3-methyl-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number1000817-20-8
PubChem CID154731021
IUPAC Namebis(pyridin-4-ylmethyl) 2,6-dimethyl-4-(3-methyl-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC26H25N3O4S2
Molecular Weight507.6
XLogP3.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity888
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=NC=C2)C3=C(SC=CS3)C)C(=O)OCC4=CC=NC=C4
InChI
InChI=1S/C26H25N3O4S2/c1-16-21(25(30)32-14-19-4-8-27-9-5-19)23(24-18(3)34-12-13-35-24)22(17(2)29-16)26(31)33-15-20-6-10-28-11-7-20/h4-13,23,29H,14-15H2,1-3H3
InChIKey
YEUZKJRCPRSLNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(pyridin-4-ylmethyl) 2,6-dimethyl-4-(3-methyl-1,4-dithiin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS: 1000817-20-8
CID: 154731021
Formula: C26H25N3O4S2
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass507.12864863
Monoisotopic Mass507.12864863
Topological Polar Surface Area141 Ų
Heavy Atom Count35
Formal Charge0
Complexity888
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

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