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NV-5440

CAT: 0013-GTR19210248-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210248-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NV-5440 is a cell-permeable, potent, and selective small molecule inhibitor of the GLUT1 glucose transporter. Its selective inhibition of GLUT1 leads to downstream suppression of mTORC1 activity, making it a useful research tool for studying cancer metabolism and signaling in both cellular and animal models.
CAS Number
2226614-88-4
Smiles
S (N) (=O) (=O) C1=C (C=CC=C1) N2CCN (C (=O) C3=CC (CN4CCN (CC4) C5=C (C#N) C=CC=C5) =C (C) C=C3C) CC2
Molecular Formula
C31H36N6O3S
Molecular Weight
572.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-[5-[[4-(2-Cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
CAS Number2226614-88-4
PubChem CID134500648
IUPAC Name2-[4-[5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
Molecular FormulaC31H36N6O3S
Molecular Weight572.7
XLogP3.4
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1040
SMILES
CC1=CC(=C(C=C1CN2CCN(CC2)C3=CC=CC=C3C#N)C(=O)N4CCN(CC4)C5=CC=CC=C5S(=O)(=O)N)C
InChI
InChI=1S/C31H36N6O3S/c1-23-19-24(2)27(20-26(23)22-34-11-13-35(14-12-34)28-8-4-3-7-25(28)21-32)31(38)37-17-15-36(16-18-37)29-9-5-6-10-30(29)41(33,39)40/h3-10,19-20H,11-18,22H2,1-2H3,(H2,33,39,40)
InChIKey
BREWSTIKWAQLCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[5-[[4-(2-Cyanophenyl)piperazin-1-yl]methyl]-2,4-dimethylbenzoyl]piperazin-1-yl]benzenesulfonamide
CAS: 2226614-88-4
CID: 134500648
Formula: C31H36N6O3S
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass572.25696021
Monoisotopic Mass572.25696021
Topological Polar Surface Area122 Ų
Heavy Atom Count41
Formal Charge0
Complexity1040
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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