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PDK1-IN-2

CAT: 0804-HY-117809-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117809-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDK1-IN-2 is a small molecule inhibitor of 3-phosphoinositol-dependent protein kinase-1 (PDK1) . PDK1-IN-2 inhibits the binding of PDK1 to its substrate by competitively binding to the PIF pocket of PDK1, thereby inhibiting the kinase activity and downstream signaling of PDK1. PDK1-IN-2 can be used for cell survival and proliferation in cancer[1].
CAS Number
1643958-85-3
Product Name Alternative
MKS 492
UNSPSC
12352005
Target
PDK-1
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pdk1-in-2.html
Purity
98.90
Solubility
DMSO : 4 mg/mL (ultrasonic; warming)
Smiles
O=S(NC1=NC2=C(S1)C=C(Cl)C=C2)(C3=CSC4=C3C=CC=C4)=O
Molecular Formula
C15H9ClN2O2S3
Molecular Weight
380.89
References & Citations
[1]Rettenmaier T J, et al. A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1[J]. Proceedings of the National Academy of Sciences, 2014, 111 (52) : 18590-18595.
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

Benzo[b]thiophene-3-sulfonamide, N-(6-chloro-2-benzothiazolyl)-
CAS Number1643958-85-3
PubChem CID86290241
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
Molecular FormulaC15H9ClN2O2S3
Molecular Weight380.9
XLogP4.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity541
SMILES
C1=CC=C2C(=C1)C(=CS2)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18)
InChIKey
VLGMTYRMKMVUHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo[b]thiophene-3-sulfonamide, N-(6-chloro-2-benzothiazolyl)-
CAS: 1643958-85-3
CID: 86290241
Formula: C15H9ClN2O2S3
MW: 380.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.9
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass379.9514687
Monoisotopic Mass379.9514687
Topological Polar Surface Area124 Ų
Heavy Atom Count23
Formal Charge0
Complexity541
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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