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BS-153

CAT: 0013-GTR19257775-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257775-02Size:10 mg
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Description
BS-153 is a novel synthetic oxazolidinone drug that exhibits anti-inflammatory effects by blocking the activation of the NF-κB/PKCθ pathway. It can suppress the expression levels of iNOS, COX-2, and pro-inflammatory cytokines (TNF-α, IL-1β, and IL-6) in LPS-stimulated RAW264.7 cells.
CAS Number
1935692-54-8
Field of Research
Signal Transduction
Smiles
N#CC1=CC (=CC=C1N2CCC (N3CCOCC3) CC2) C (=O) NC=4C=NN (C5=CC=C (Cl) C=C5) C4C (F) (F) F
Molecular Formula
C27H26ClF3N6O2
Molecular Weight
558.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)benzamide
CAS Number1935692-54-8
PubChem CID177822971
IUPAC NameN-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)benzamide
Molecular FormulaC27H26ClF3N6O2
Molecular Weight559.0
XLogP4.3
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity880
SMILES
C1CN(CCC1N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4=C(N(N=C4)C5=CC=C(C=C5)Cl)C(F)(F)F)C#N
InChI
InChI=1S/C27H26ClF3N6O2/c28-20-2-4-22(5-3-20)37-25(27(29,30)31)23(17-33-37)34-26(38)18-1-6-24(19(15-18)16-32)36-9-7-21(8-10-36)35-11-13-39-14-12-35/h1-6,15,17,21H,7-14H2,(H,34,38)
InChIKey
DIBPSYMYRYUFRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)benzamide
CAS: 1935692-54-8
CID: 177822971
Formula: C27H26ClF3N6O2
MW: 559.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.0
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass558.1757863
Monoisotopic Mass558.1757863
Topological Polar Surface Area86.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity880
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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