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A 83-01 sodium salt

CAT: 0931-T10442Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T10442Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2828431-89-4
Target
ALK, TGF-beta/Smad
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Stem Cells
Bioactivity
A 83-01 sodium salt is a potent inhibitor of TGF-β type I receptor ALK5 kinase, ALK4 and ALK7, with IC 50 s of 12 nM, 45 nM and 7.5 nM against the ALK5, ALK4 and ALK7 induced transcription, respectively [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19206518A 83-01 sodium salt
AR-R11423-01Rosuvastatin Impurity 83 Sodium Salt
AR-E10994-01Ezetimibe Impurity 83 Sodium Salt
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231055-012'-Deoxyguanosine-5'-triphosphate sodium salt 98+% discontinued. See D3189-01
453558-01Lasalocid A Sodium Salt (Solution in acetonitrile 0.1mg/ml) discontinued. See L1370-01
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