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RepSox

CAT: 0804-HY-13012-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13012-05Size:100 mg
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Description
RepSox (E-616452) is a potent and selective transforming growth factor-beta receptor I/activin like kinase 5 (TGF-β-RI/ALK5) inhibitor. RepSox inhibits ALK5 autophosphorylation with an IC50 value of 4 nM. RepSox can be used for the research of obesity and associated metabolic diseases such as type 2 diabetes[1][2].
CAS Number
446859-33-2
Product Name Alternative
E-616452; SJN 2511
UNSPSC
12352005
Hazard Statement
H301
Target
Organoid; TGF-β Receptor
Type
Reference compound
Related Pathways
Stem Cell/Wnt; TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/RepSox.html
Purity
99.92
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
CC1=NC(C2=NNC=C2C3=NC4=CC=CN=C4C=C3)=CC=C1
Molecular Formula
C17H13N5
Molecular Weight
287.32
Precautions
H301
References & Citations
[1]Gellibert F, et al. Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors. J Med Chem. 2004 Aug 26;47 (18) :4494-506.|[2]Wan-Zhi Tu, et al. RepSox, a small molecule inhibitor of the TGFβ receptor, induces brown adipogenesis and browning of white adipocytes. Acta Pharmacol Sin. 2019 Dec;40 (12) :1523-1531.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ALK5

Chemical Information

RepSox

RepSox is a member of the class of pyrazoles that is 1H-pyrazole substituted by 6-methylpyridin-2-yl and 1,5-naphthyridin-2-yl groups at positions 3 and 4, respectively. It is a potent and selective inhibitor of TGF-beta R1 kinase (IC50 = 4 nM) and ALK5 autophosphorylation and binding (IC50 = 23 nM). It has a role as an antineoplastic agent, a bone density conservation agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a TGFbeta receptor antagonist. It is a member of pyrazoles, a member of pyridines and a 1,5-naphthyridine derivative.

CAS Number446859-33-2
PubChem CID449054
IUPAC Name2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine
Molecular FormulaC17H13N5
Molecular Weight287.32
XLogP2.2
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity376
SMILES
CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4
InChI
InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
InChIKey
LBPKYPYHDKKRFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RepSox
CAS: 446859-33-2
CID: 449054
Formula: C17H13N5
MW: 287.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.32
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass287.11709544
Monoisotopic Mass287.11709544
Topological Polar Surface Area67.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity376
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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