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JS6

CAT: 0804-HY-152177-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152177-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JS6 is a Bcl3 inhibitor, and inhibits Bcl3-NF-kB1 binding. JS6 inhibits tumor cell growth in vitro and in vivo[1].
CAS Number
950244-33-4
UNSPSC
12352005
Target
NF-κB
Type
Reference compound
Related Pathways
NF-κB
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/js6.html
Purity
99.67
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(NCCN1CCOCC1)C2=CC=CC=C2NC(C3=CC=CC=C3F)=O
Molecular Formula
C20H22FN3O3
Molecular Weight
371.41
References & Citations
[1]Soukupová J, et al. The Discovery of a Novel Antimetastatic Bcl3 Inhibitor. Mol Cancer Ther. 2021;20 (5) :775-786.
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-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CAS Number950244-33-4
PubChem CID24824960
IUPAC Name2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
Molecular FormulaC20H22FN3O3
Molecular Weight371.4
XLogP2.3
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1COCCN1CCNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3F
InChI
InChI=1S/C20H22FN3O3/c21-17-7-3-1-5-15(17)20(26)23-18-8-4-2-6-16(18)19(25)22-9-10-24-11-13-27-14-12-24/h1-8H,9-14H2,(H,22,25)(H,23,26)
InChIKey
QEEPXSHOUBCRGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CAS: 950244-33-4
CID: 24824960
Formula: C20H22FN3O3
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass371.16451973
Monoisotopic Mass371.16451973
Topological Polar Surface Area70.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
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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