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RS47

CAT: 0013-GTR19257846-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257846-01Size:1 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 small molecule (Kd = 1.1 μM) that specifically targets RelB, selectively inhibiting the non-canonical NF-κB pathway by disrupting RelB binding to target DNA. It exhibits antitumour activity in vivo and in vitro and may be used in studies of colorectal cancer and B-cell lymphoma.
CAS Number
301655-16-3
Product Name Alternative
RS-47, RS 47
Field of Research
Signal Transduction
Purity
98.76% (May vary between batches)
Solubility
DMSO:20 mg/mL (56.43 mM)
Smiles
OC1=CC=C (O) C (=C1) C (=NNC=2N=CN=C3SC4=C (C32) CCCC4) C
Molecular Formula
C18H18N4O2S
Molecular Weight
354.43
Storage Conditions
-20°C
Notes
For research use only.

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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