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RepSox (E-616452)

CAT: 1568-C12533-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C12533-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
446859-33-2
Synonyms
SJN 2511, ALK5 Inhibitor II
Target
TGF-beta/Smad
Applications
TGF-beta/Smad
Smiles
CC1=NC (=CC=C1) C2=C (C=NN2) C3=NC4=C (C=C3) N=CC=C4
Molecular Formula
C17H13N5
Additionnal Information
RepSox (E-616452, SJN 2511, ALK5 Inhibitor II) is a potent and selective inhibitor of the TGFβR-1/ALK5 with IC50 of 23 nM and 4 nM for ATP binding to ALK5 and ALK5 autophosphorylation in cell-free assays, respectively.
Storage Conditions
2 years -80 in solvent

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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Alternative Products

CatalogName
S7223-1gRepSox (E-616452)
MBS6105756-01RepSox (2-[3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine, E-616452)
HY-13012-01RepSox
HY-13012R-01RepSox (Standard)

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