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A 83-01 sodium salt

CAT: 0013-GTR19206518Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206518Size:500 mg
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Description
A 83-01 sodium salt is a potent and selective inhibitor of the TGF-β receptor kinases ALK5, ALK4, and ALK7, with respective IC50 values of 12 nM, 45 nM, and 7.5 nM in transcription assays. This compound is widely used in vitro to study TGF-β/Smad signaling pathways in cancer, fibrosis, and stem cell biology research.
CAS Number
2828431-89-4
Field of Research
Cardiovascular Research, Signal Transduction, Stem Cell & Developmental Biology
Smiles
S=C (N1N=C (C2=NC (C) =CC=C2) C (C3=CC=NC4=CC=CC=C34) =C1) NC5=CC=CC=C5.[Na+]
Molecular Formula
C25H19N5NaS+
Molecular Weight
444.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(6-Methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide, sodium salt
CAS Number2828431-89-4
PubChem CID139034128
IUPAC Namesodium [3-(6-methyl-2-pyridinyl)-4-quinolin-4-ylpyrazole-1-carbothioyl]-phenylazanide
Molecular FormulaC25H18N5NaS
Molecular Weight443.5
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity615
SMILES
CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)[N-]C5=CC=CC=C5.[Na+]
InChI
InChI=1S/C25H19N5S.Na/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18;/h2-16H,1H3,(H,28,31);/q;+1/p-1
InChIKey
QEDFBXIADXHNKE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3-(6-Methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide, sodium salt
CAS: 2828431-89-4
CID: 139034128
Formula: C25H18N5NaS
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass443.11806105
Monoisotopic Mass443.11806105
Topological Polar Surface Area76.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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