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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20ClN3O
Molecular Weight 353.845
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ER-176

SMILES

CC[C@@H](C)N(C)C(=O)C1=NC2=C(C=CC=C2)C(=N1)C3=C(Cl)C=CC=C3

InChI

InChIKey=ASFLYNMYGAYKON-CYBMUJFWSA-N
InChI=1S/C20H20ClN3O/c1-4-13(2)24(3)20(25)19-22-17-12-8-6-10-15(17)18(23-19)14-9-5-7-11-16(14)21/h5-13H,4H2,1-3H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H20ClN3O
Molecular Weight 353.845
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

ER176 ((R)-N-sec-butyl-4-(2-chlorophenyl)-N-methylquinazoline-2-carboxamide) is a ligand of mitochondrial 18-kDa translocator protein (TSPO). TSPO is a mitochondrial protein that is highly expressed in phagocytic inflammatory cells, including activated microglia in the brain and macrophages in the periphery. 11C-radiolabeled ER176 is a promising PET tracer for imaging of neuroinflammation.

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and evaluation of translocator 18 kDa protein (TSPO) positron emission tomography (PET) radioligands with low binding sensitivity to human single nucleotide polymorphism rs6971.
2014 Oct 15
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:44:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:38 GMT 2023
Record UNII
1CFA2S833A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ER-176
Common Name English
N-((2R)-2-BUTANYL)-4-(2-CHLOROPHENYL)-N-METHYL-2-QUINAZOLINECARBOXAMIDE
Systematic Name English
2-QUINAZOLINECARBOXAMIDE, 4-(2-CHLOROPHENYL)-N-METHYL-N-((1R)-1-METHYLPROPYL)-
Systematic Name English
O-METHYL-(R)-N-SEC-BUTYL-4-(2-CHLOROPHENYL)-N-METHYLQUINAZOLINE-2-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
1CFA2S833A
Created by admin on Sat Dec 16 09:44:38 GMT 2023 , Edited by admin on Sat Dec 16 09:44:38 GMT 2023
PRIMARY
PUBCHEM
57521383
Created by admin on Sat Dec 16 09:44:38 GMT 2023 , Edited by admin on Sat Dec 16 09:44:38 GMT 2023
PRIMARY
CAS
1373887-29-6
Created by admin on Sat Dec 16 09:44:38 GMT 2023 , Edited by admin on Sat Dec 16 09:44:38 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED