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AX20017

CAT: 0013-GTR19157285-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157285-02Size:500 mg
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Description
AX20017 is a small-molecule protein kinase G (PknG) inhibitor (IC50 : 0.39 μM) . It acts by blocking the proliferation of M. tuberculosis. (In Vitro) :The compound AX20017 inhibitor is bound deep within a narrow pocket formed by the inter lobe cleft of the PknG domain. The main chain Glu233:O and Val235:NH of PknG form hydrogen bonds with AX20017.AX20017 results in mycobacterial transfer to lysosomes and killing of the mycobacteria. AX20017 does not affect the human kinases, whereas the activity of PknG is effectively inhibited. AX20017 does not affect cellular morphology, membrane ruffling, or macropinocytosis.
CAS Number
329221-38-7
Purity
>98% (HPLC)
Solubility
DMSO:32 mg/mL (121.06 mM)
Smiles
NC (=O) c1c (NC (=O) C2CC2) sc2CCCCc12
Molecular Formula
C13H16N2O2S
Molecular Weight
264.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (Cyclopropanecarbonylamino) -233a45677a-octahydro-1-benzothiophene-3-carboxamide

Chemical Information

2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS Number329221-38-7
PubChem CID673481
IUPAC Name2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Molecular FormulaC13H16N2O2S
Molecular Weight264.35
XLogP2.2
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity370
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC3)C(=O)N
InChI
InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)
InChIKey
VATFNEMGBRWLHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS: 329221-38-7
CID: 673481
Formula: C13H16N2O2S
MW: 264.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.35
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass264.09324893
Monoisotopic Mass264.09324893
Topological Polar Surface Area100 Ų
Heavy Atom Count18
Formal Charge0
Complexity370
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
MBS3845656-01AX20017
A21226-25AX20017 25mg
A21226-5AX20017 5mg
A21226-100AX20017 100mg
A21226-10AX20017 10mg
A21226-2AX20017 2mg
A21226-50AX20017 50mg
A21226-10mM-DAX20017 10mM * 1mL in DMSO

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