Abt-288

HCID 24743471CAS 948845-91-8

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Basic information

Standard SMILES: CN1C[C@H]2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)[C@H]2C1
InChIKey: GNIRITULTPTAQW-KNQAVFIVSA-N
Molecular formula: C23H24N4O
Average molar mass: 372.5 g/mol

Overview

ABT-288 is under investigation in clinical trial NCT01018875 (Efficacy and Safety Study of ABT-288 in Subjects With Mild-to-Moderate Alzheimer's Disease).

Names & identifiers

Preferred name: Abt-288
IUPAC: 2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
English name: 3(2H)-Pyridazinone, 2-[4'-[(3aR,6aR)-hexahydro-5-methylpyrrolo[3,4-b]pyrrol-1(2H)-yl][1,1'-biphenyl]-4-yl]-
Molecular formula: C23H24N4O
Molecular weight: 372.46

Names & synonyms

ABT-288948845-91-85MEI1M3NHHABT 2882-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one2-(4-(4-((3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo(3,2-c)pyrrol-1-yl)phenyl)phenyl)pyridazin-3-oneRefChem:1085682-(4'-((3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrol-1-yl)-(1,1'-biphenyl)-4-yl)-2,3-dihydropyridazin-3-oneUNII-5MEI1M3NHHCHEMBL45270112-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-oneGNIRITULTPTAQWKNQAVFIVSAN

Show more names

3(2H)-Pyridazinone, 2-[4'-[(3aR,6aR)-hexahydro-5-methylpyrrolo[3,4-b]pyrrol-1(2H)-yl][1,1'-biphenyl]-4-yl]-

ABT288GTPL6927orb1701285SCHEMBL2406947GNIRITULTPTAQW-KNQAVFIVSA-NBDBM50533199EX-A14917AKOS040747741

Database identifiers

CAS: 948845-91-8
PubChem CID: 24743471
ChEMBL: CHEMBL3545029、CHEMBL4527011
UNII: 5MEI1M3NHH
Nikkaji: J3.497.401B

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 631

Physicochemical properties

Boiling point: 567.4 · 567.4±60.0 °C(Predicted)
Density: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: 9.78 · 9.78±0.20(Predicted)
FDA UNII: 5 MEI1M3NHH · 5MEI1M3NHH

Chemistry & industry

Applications

UsesABT-288 is a competitive, potent and selective histamine H3 receptor (H3R) antagonist. ABT-288 has Ki values of 1.9 and 8.2 nM for human and rat H3Rs, respectively. ABT-288 can be used in cognitive impairment research.[1].