9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
Basic information
- CAS
1124329-14-1- Standard SMILES
COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C- InChIKey
YUKWVHPTFRQHMF-UHFFFAOYSA-N- Molecular formula
- C24H32N6O3
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.2535889
Names & identifiers
- Preferred name
- 9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
- IUPAC
- 9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-one
- English name
- 9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-one
- Molecular formula
- C24H32N6O3
- Molecular weight
- 452.55
Names & synonyms
1124329-14-1AZ3146AZ 3146AZ-31469-cyclopentyl-2-(2-methoxy-4-(1-methylpiperidin-4-yloxy)phenylamino)-7-methyl-7H-purin-8(9H)-one9-Cyclopentyl-2-[[2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]-phenyl]amino]-7-methyl-7,9-dihydro-8H-purin-8-oneCHEMBL21405239-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-7-methylpurin-8-oneMFCD18384959AKOS024457919CCG-2649899-cyclopentyl-2-((2-methoxy-4-((1-methylpiperidin-4-yl)oxy)phenyl)amino)-7-methyl-7H-purin-8(9H)-one
Show more names
CS-511AZ 3146 ，S2731AZ3146 >=98% (HPLC)AZ3146, 10 mM in DMSOMPS1 Inhibitor III, AZ3146AZ3146 Mps1 Inhibitor III AZ-3146
CS-0883NCGC00263090-01HY-14710SW219317-19-cyclopentyl-2-({2-methoxy-4-[(1-methylpiperidin-4-yl)oxy]phenyl}amino)-7-methylpurin-8-oneAU58H-Purin-8-one, 9-cyclopentyl-7,9-dihydro-2-[[2-methoxy-4-[(1-methyl-4-piperidinyl)oxy]phenyl]amino]-7-methyl-MLS006011199
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Boiling point
- 621 · 621.0±65.0 °C(Predicted)
- Density
- 1.279 · 1.279
- storage temp.
- 4 °C · Store at +4°C
- solubility
- Soluble in DMSO (up to 10 mg/ml) or in Ethanol (up to at least 25 mg/ml)
- pka
- 8.29 · 8.29±0.10(Predicted)
- form
- solid
- color
- Off-white
- Stability
- 1 year · Stable for 1 year as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
- InChIKey
- YUKWVHPTFRQHMF-UHFFFAOYSA-N
- SMILES
- CN1CCC(OC2=CC(OC)=C(NC3=NC=C4C(N(C5CCCC5)C(N4C)=O)=N3)C=C2)CC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionAZ3146 (1124329-14-1) is a potent (IC50= 35 nM) and selective monopolar spindle 1 (Mps1/TTK) kinase inhibitor.1Mps1 has an essential role in the spindle assembly checkpoint, an inhibitory network that restrains anaphase until all kinetochores are stably attached to spindle microtubules during mitosis. AZ3146 decreased hepatocellular carcinoma growth in vitro (SMMC-7721 and BEL-7404 cells).2
UsesAZ 3146 is a protein kinase Mps1 inhibitor.
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