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J-1048

CAT: 0013-GTR19218875-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218875-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
J-1048 is a selective ALK5 inhibitor that blocks the TGF-β/Smad pathway. It has been shown to effectively reduce liver fibrosis in a TAA-induced mouse model, making it a valuable tool for studying fibrotic diseases in both in vivo and in vitro research settings.
CAS Number
2374772-60-6
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (C (NC1=CC (F) =CC=C1) =S) N2C=C (C (=N2) C=3N=C (C) C=CC3) C4=CC=5C (C=C4) =NSN5
Molecular Formula
C23H17FN6S2
Molecular Weight
460.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(3-fluorophenyl)ethanethioamide
CAS Number2374772-60-6
PubChem CID155544549
IUPAC Name2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(3-fluorophenyl)ethanethioamide
Molecular FormulaC23H17FN6S2
Molecular Weight460.6
XLogP4.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity656
SMILES
CC1=NC(=CC=C1)C2=NN(C=C2C3=CC4=NSN=C4C=C3)CC(=S)NC5=CC(=CC=C5)F
InChI
InChI=1S/C23H17FN6S2/c1-14-4-2-7-20(25-14)23-18(15-8-9-19-21(10-15)29-32-28-19)12-30(27-23)13-22(31)26-17-6-3-5-16(24)11-17/h2-12H,13H2,1H3,(H,26,31)
InChIKey
TVWMUKRZUMLJMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-(3-fluorophenyl)ethanethioamide
CAS: 2374772-60-6
CID: 155544549
Formula: C23H17FN6S2
MW: 460.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass460.09401508
Monoisotopic Mass460.09401508
Topological Polar Surface Area129 Ų
Heavy Atom Count32
Formal Charge0
Complexity656
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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