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RepSox (SJN 2511) 2mg

CAT: 0628-A11762-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A11762-2Size:2 mg
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CAS Number
446859-33-2

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
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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
MBS384656-01RepSox (SJN 2511)
R1035-85-01RepSox (SJN 2511, ALK5 Inhibitor II)
3742/10SJN 2511
HY-13012-01RepSox
BA4852-10EBI-2511
HY-13012R-01RepSox (Standard)

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