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NBDHEX

CAT: 0804-HY-135318-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135318-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by specific pumps and disrupting the interaction between the GSTP1-1 and key signaling effectors. NBDHEX can also act as late-phase autophagy inhibitor[1][2].
CAS Number
787634-60-0
UNSPSC
12352005
Target
Apoptosis; Autophagy; Glutathione S-transferase
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nbdhex.html
Purity
98.56
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OCCCCCCSC1=CC=C([N+]([O-])=O)C2=NON=C21
Molecular Formula
C12H15N3O4S
Molecular Weight
297.33
References & Citations
[1]Sha HH, et al. 6- (7-nitro-2,1,3-benzoxadiazol-4-ylthio) hexanol: a promising new anticancer compound. Biosci Rep. 2018 Feb 13;38 (1) . pii: BSR20171440.|[2] Filomeni G, et al. 6- (7-Nitro-2,1,3-benzoxadiazol-4-ylthio) hexanol, a specific glutathione S-transferase inhibitor, overcomes the multidrug resistance (MDR) -associated protein 1-mediated MDR in small cell lung cancer. Mol Cancer Ther. 2008 Feb;7 (2) :371-9.|[3]Pellizzari Tregno F, et al. In vitro and in vivo efficacy of 6- (7-nitro-2,1,3-benzoxadiazol-4-ylthio) hexanol (NBDHEX) on human melanoma. Eur J Cancer. 2009 Sep;45 (14) :2606-17.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol

a specific glutathione S-transferase inhibitor; structure in first source

CAS Number787634-60-0
PubChem CID9817686
IUPAC Name6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
Molecular FormulaC12H15N3O4S
Molecular Weight297.33
XLogP2.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
InChIKey
RGXYYAZGELLKDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
CAS: 787634-60-0
CID: 9817686
Formula: C12H15N3O4S
MW: 297.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.33
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass297.07832714
Monoisotopic Mass297.07832714
Topological Polar Surface Area130 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
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
BUP04362-01NBDHEX

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