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RS47

CAT: 0804-HY-171579-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171579-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RS47 (Compound 1a) is a selective inhibitor of the non-canonical NF-κB signaling pathway targeting RelB with a Kd of 1.1 μM. RS47 competitively blocks RelB binding to target DNA, inhibiting downstream gene (e.g., BCL3, PIM2) expression, thereby suppressing tumor cell proliferation. RS47 is promising for research of cancers with aberrant activation of the non-canonical NF-κB pathway, such as colorectal cancer and B lymphoma[1][2].
CAS Number
301655-16-3
UNSPSC
12352005
Target
NF-κB
Related Pathways
NF-κB
Field of Research
Cancer
Purity
98.0
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
OC1=CC=C(C(/C(C)=N/NC2=C3C(CCCC4)=C4SC3=NC=N2)=C1)O
Molecular Formula
C18H18N4O2S
Molecular Weight
354.43
References & Citations
[1]Li C, et al. Development of RelB-targeting small-molecule inhibitors of non-canonical NF-κB signaling with antitumor efficacy. Mol Ther. 2025 Apr 2;33 (4) :1519-1534.|[2]Bassetto M, et al. Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication. Eur J Med Chem. 2016 Nov 10;123:31-47.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(E)-C-methyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)carbonimidoyl]benzene-1,4-diol
CAS Number301655-16-3
PubChem CID135715987
IUPAC Name2-[(E)-C-methyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)carbonimidoyl]benzene-1,4-diol
Molecular FormulaC18H18N4O2S
Molecular Weight354.4
XLogP4.2
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity505
SMILES
C/C(=N\NC1=C2C3=C(CCCC3)SC2=NC=N1)/C4=C(C=CC(=C4)O)O
InChI
InChI=1S/C18H18N4O2S/c1-10(13-8-11(23)6-7-14(13)24)21-22-17-16-12-4-2-3-5-15(12)25-18(16)20-9-19-17/h6-9,23-24H,2-5H2,1H3,(H,19,20,22)/b21-10+
InChIKey
IMZXEXALIANGGH-UFFVCSGVSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E)-C-methyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)carbonimidoyl]benzene-1,4-diol
CAS: 301655-16-3
CID: 135715987
Formula: C18H18N4O2S
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass354.11504700
Monoisotopic Mass354.11504700
Topological Polar Surface Area119 Ų
Heavy Atom Count25
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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