Basic information
- CAS
1207197-70-3- Standard SMILES
Cn1c(CN2CCN(c3ncc(Cl)cn3)CC2)nc2ccccc21- InChIKey
IXXZGBOSQDVMTC-UHFFFAOYSA-N- Molecular formula
- C17H19ClN6
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.1359723
Overview
an mGluR2 modulator; structure in first source
Names & identifiers
- Preferred name
- Gsk-1331268
- IUPAC
- 2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-methylbenzimidazole
- English name
- GSK-1331268
- Molecular formula
- C17H19ClN6
- Molecular weight
- 342.83
Names & synonyms
GSK1331268GSK-13312681207197-70-3GSK 13312685H2QQ669K92-((4-(5-chloropyrimidin-2-yl)piperazin-1-yl)methyl)-1-methyl-1H-1,3-benzodiazole2-{[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-1,3-benzodiazoleRefChem:144536UNII-5H2QQ669K9CHEMBL595759GTPL6253BDBM50415292
Show more names
EX-A11281AKOS040748457HY-120662Q270778722-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-methylbenzimidazole1H-BENZIMIDAZOLE, 2-((4-(5-CHLORO-2-PYRIMIDINYL)-1-PIPERAZINYL)METHYL)-1-METHYL-2-((4-(5-CHLORO-2-PYRIMIDINYL)-1-PIPERAZINYL)METHYL)-1-METHYL-1H-BENZIMIDAZOLE
Database identifiers
- CAS
1207197-70-3- PubChem CID
- 46190878
- ChEMBL
CHEMBL595759- UNII
- 5H2QQ669K9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- FDA UNII
- 5 H2QQ669K9 · 5H2QQ669K9
Chemistry & industry
Applications
UsesGSK1331268 is a selective, orally active agonist for mGluR2 with a pEC50 of 6.9. GSK1331268 exhibits good blood-brain barrier penetration. GSK1331268 regulates glutamate signaling, and can be used in research of neurodegenerative and neuropsychiatric diseases[1].
Suppliers5 total
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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