Products for Research Use Only

Anti-inflammatory agent 70

CAT: 0804-HY-157570-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-157570-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Anti-inflammatory agent 70 (N-Me-SP23) is a STING protein PROTAC degrader and inhibits the STING signaling pathway. Anti-inflammatory agent 70 has anti-inflammatory activity. (Pink: STING inhibitor ; Black: linker (HY-W008296) ; Blue: CRBN Ligand (HY-W460193) ).
CAS Number
2767427-87-0
UNSPSC
12352005
Target
PROTACs; STING
Type
Reference compound
Related Pathways
Immunology/Inflammation; PROTAC
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/anti-inflammatory-agent-70.html
Purity
97.00
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
[O-][N+](C1=CC=C(C(NC2=CC=C(NC(/C=C/C(NCCCCCCNC3=C4C(C(N(C4=O)C5CCC(N(C5=O)C)=O)=O)=CC=C3)=O)=O)C=C2)=O)O1)=O
Molecular Formula
C35H35N7O10
Molecular Weight
713.69
References & Citations
[1]Liu J, et al. Novel CRBN-Recruiting Proteolysis-Targeting Chimeras as Degraders of Stimulator of Interferon Genes with In Vivo Anti-Inflammatory Efficacy. J Med Chem. 2022 May 12;65 (9) :6593-6611.
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

Anti-inflammatory agent 70
CAS Number2767427-87-0
PubChem CID170915644
IUPAC Name(E)-N-[6-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-N'-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]but-2-enediamide
Molecular FormulaC35H35N7O10
Molecular Weight713.7
XLogP3.1
Topological Polar Surface Area233
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count52
Formal Charge0
Complexity1420
SMILES
CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCNC(=O)/C=C/C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(O5)[N+](=O)[O-]
InChI
InChI=1S/C35H35N7O10/c1-40-29(45)17-13-25(34(40)48)41-33(47)23-7-6-8-24(31(23)35(41)49)36-19-4-2-3-5-20-37-27(43)15-16-28(44)38-21-9-11-22(12-10-21)39-32(46)26-14-18-30(52-26)42(50)51/h6-12,14-16,18,25,36H,2-5,13,17,19-20H2,1H3,(H,37,43)(H,38,44)(H,39,46)/b16-15+
InChIKey
GLXVESPMAQKDPG-FOCLMDBBSA-N
Chemical Structure
2D Structure
2D structure of Anti-inflammatory agent 70
CAS: 2767427-87-0
CID: 170915644
Formula: C35H35N7O10
MW: 713.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight713.7
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass713.24454034
Monoisotopic Mass713.24454034
Topological Polar Surface Area233 Ų
Heavy Atom Count52
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes