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SUCNR1-IN-2

CAT: 0804-HY-156955-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156955-01Size:5 mg
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Description
SUCNR1-IN-2 (Statement 35) is a SUCNR1 inhibitor. SUCNR1-IN-2 can be used for the study of neurodegenerative diseases such as neuroinflammation[1].
CAS Number
2988733-54-4
UNSPSC
12352005
Target
Succinate Receptor 1
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/sucnr1-in-2.html
Purity
99.74
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
OC(C[C@@H](C(O)=O)NC(C1=NC(C2=CC=C(C=C2)OC(F)(F)F)=CC=C1)=O)=O
Molecular Formula
C17H13F3N2O6
Molecular Weight
398.29
References & Citations
[1]Xin Li, et al. Targeting sucnr1 to reduce neuroinflammation. Patent US20230293504A1.
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

Sucnr1-IN-2
CAS Number2988733-54-4
PubChem CID137553168
IUPAC Name(2S)-2-[[6-[4-(trifluoromethoxy)phenyl]pyridine-2-carbonyl]amino]butanedioic acid
Molecular FormulaC17H13F3N2O6
Molecular Weight398.29
XLogP2.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity578
SMILES
C1=CC(=NC(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1
InChIKey
TUTOXIPIHTUWDS-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Sucnr1-IN-2
CAS: 2988733-54-4
CID: 137553168
Formula: C17H13F3N2O6
MW: 398.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.29
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass398.07257062
Monoisotopic Mass398.07257062
Topological Polar Surface Area126 Ų
Heavy Atom Count28
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes