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GSK 2830371

CAT: 0804-HY-15832-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15832-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK 2830371 is a highly selective Wip1 phosphatase inhibitor with IC50 of 6 nM.
CAS Number
1404456-53-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/gsk-2830371.html
Purity
99.70
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=CN=C(C)C(NCC2=CC=C(C(N[C@@H](CC3CCCC3)C(NC4CC4)=O)=O)S2)=C1
Molecular Formula
C23H29ClN4O2S
Molecular Weight
461.02
Precautions
H302, H315, H319, H335
References & Citations
[1]Gilmartin AG, et al. Allosteric Wip1 phosphatase inhibition through flap-subdomain interaction. Nat Chem Biol. 2014 Mar;10 (3) :181-7.|[2]Esfandiari A, et al. Chemical Inhibition of Wild-Type p53-Induced Phosphatase 1 (WIP1/PPM1D) by GSK2830371 Potentiates the Sensitivity to MDM2 Inhibitors in a p53-Dependent Manner. Mol Cancer Ther. 2016 Mar;15 (3) :379-91.
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

Gsk2830371

inhibits Wip1 phosphatase; structure in first source

CAS Number1404456-53-6
PubChem CID70983932
IUPAC Name5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
Molecular FormulaC23H29ClN4O2S
Molecular Weight461.0
XLogP5.2
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity629
SMILES
CC1=C(C=C(C=N1)Cl)NCC2=CC=C(S2)C(=O)N[C@@H](CC3CCCC3)C(=O)NC4CC4
InChI
InChI=1S/C23H29ClN4O2S/c1-14-19(11-16(24)12-25-14)26-13-18-8-9-21(31-18)23(30)28-20(10-15-4-2-3-5-15)22(29)27-17-6-7-17/h8-9,11-12,15,17,20,26H,2-7,10,13H2,1H3,(H,27,29)(H,28,30)/t20-/m0/s1
InChIKey
IVDUVEGCMXCMSO-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Gsk2830371
CAS: 1404456-53-6
CID: 70983932
Formula: C23H29ClN4O2S
MW: 461.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.0
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass460.1699750
Monoisotopic Mass460.1699750
Topological Polar Surface Area111 Ų
Heavy Atom Count31
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B1169-50GSK 2830371
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A16565-25GSK 2830371 25mg
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A16565-50GSK 2830371 50mg
A16565-5GSK 2830371 5mg
A16565-200GSK 2830371 200mg
A16565-100GSK 2830371 100mg
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