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SLC7A11-IN-2

CAT: 0804-HY-169056-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169056-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SLC7A11-IN-2 (Compound 1) is an SLC7A11/xCT inhibitor. SLC7A11-IN-2 induces cell death in HeLa cells by lowering intracellular glutathione levels and increasing oxidative stress, thereby disrupting the oxidative balance within the cells, with an IC50 value of 10.23 μM. Molecular dynamics simulation analysis indicates that SLC7A11-IN-2 has a stronger binding affinity to SLC7A11 compared to Erastin. SLC7A11-IN-2 can be utilized in research within the field of cervical cancer[1].
CAS Number
14668-59-8
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/slc7a11-in-2.html
Purity
99.80
Solubility
DMSO : 175 mg/mL (ultrasonic)
Smiles
O=C(C(CC(CC)O)C(NNC1=CC=CC=C1)=O)NNC2=CC=CC=C2
Molecular Formula
C19H24N4O3
Molecular Weight
356.42
References & Citations
[1]Yue J, et al. Discovery of the Inhibitor Targeting the SLC7A11/xCT Axis through In Silico and In Vitro Experiments. Int J Mol Sci. 2024 Jul 29;25 (15) :8284.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(2-hydroxybutyl)-N'~1~,N'~3~-diphenylmalonohydrazide
CAS Number14668-59-8
PubChem CID3492258
IUPAC Name2-(2-hydroxybutyl)-1-N',3-N'-diphenylpropanedihydrazide
Molecular FormulaC19H24N4O3
Molecular Weight356.4
XLogP3.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity401
SMILES
CCC(CC(C(=O)NNC1=CC=CC=C1)C(=O)NNC2=CC=CC=C2)O
InChI
InChI=1S/C19H24N4O3/c1-2-16(24)13-17(18(25)22-20-14-9-5-3-6-10-14)19(26)23-21-15-11-7-4-8-12-15/h3-12,16-17,20-21,24H,2,13H2,1H3,(H,22,25)(H,23,26)
InChIKey
GGTVZZHSMUZWQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-hydroxybutyl)-N'~1~,N'~3~-diphenylmalonohydrazide
CAS: 14668-59-8
CID: 3492258
Formula: C19H24N4O3
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass356.18484064
Monoisotopic Mass356.18484064
Topological Polar Surface Area102 Ų
Heavy Atom Count26
Formal Charge0
Complexity401
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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