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NP-BTA

CAT: 0013-GTR19234876-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234876-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NP-BTA is an allosteric inhibitor of glutaminyl-tRNA synthetase (GlnRS) with antifungal properties. It exhibits activity against Candida albicans in vitro, demonstrating a MIC50 of 6.25 μM, and serves as a research tool for studying fungal aminoacyl-tRNA synthetases and antifungal mechanisms.
CAS Number
544420-99-7
Field of Research
Infectious Disease & Virology
Smiles
C (=CC (NC=1N=CC=CN1) =O) C2=CC=CS2
Molecular Formula
C11H9N3OS
Molecular Weight
231.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-N-pyrimidin-2-yl-3-thiophen-2-ylprop-2-enamide
CAS Number544420-99-7
PubChem CID887188
IUPAC Name(E)-N-pyrimidin-2-yl-3-thiophen-2-ylprop-2-enamide
Molecular FormulaC11H9N3OS
Molecular Weight231.28
XLogP1.5
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity264
SMILES
C1=CN=C(N=C1)NC(=O)/C=C/C2=CC=CS2
InChI
InChI=1S/C11H9N3OS/c15-10(5-4-9-3-1-8-16-9)14-11-12-6-2-7-13-11/h1-8H,(H,12,13,14,15)/b5-4+
InChIKey
YHXZJZATPFHLGR-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-pyrimidin-2-yl-3-thiophen-2-ylprop-2-enamide
CAS: 544420-99-7
CID: 887188
Formula: C11H9N3OS
MW: 231.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.28
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass231.04663309
Monoisotopic Mass231.04663309
Topological Polar Surface Area83.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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