Basic information
- CAS
899827-04-4- Standard SMILES
C[C@H](O)C(=O)O.Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1- InChIKey
MHFUWOIXNMZFIW-WNQIDUERSA-N- Molecular formula
- C26H34N8O4S
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.24237277
Overview
Tozasertib Lactate is the lactate salt of tozasertib, a synthetic, small-molecule Aurora kinase inhibitor with potential antitumor activity. Tozasertib binds to and inhibits Aurora kinases (AKs), thereby inducing apoptosis in tumor cells in which AKs are overexpressed. AKs, a family of serine-threonine kinases, are essential for mitotic progression, spindle formation, centrosome maturation, chromosomal segregation, and cytokinesis.
Names & identifiers
- Preferred name
- Tozasertib Lactate
- IUPAC
- (2S)-2-hydroxypropanoic acid;N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
Names & synonyms
Tozasertib lactateCN8EF9N084899827-04-4MK0457RefChem:190522Aurora Kinase Inhibitor MK-0457N-(4-((4-(4-methylpiperazin-1-yl)-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)sulfanyl)phenyl)cyclopropanecarboxamide lactateN-(4-((4-(4-methylpiperazin-1-yl)-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)sulfanyl)phenyl)cyclopropanecarboxamide, (2S)-2-hydroxypropanoateL-001281814Tozasertib lactate [USAN]VX-680 lactateTozasertib lactate (USAN)
Show more names
UNII-CN8EF9N084orb1741065CHEMBL2105657SCHEMBL29386202DTXSID201009081TOZASERTIB LACTATE [WHO-DD]D08344Q27275546
Database identifiers
- CAS
899827-04-4- PubChem CID
- 44153236
- DTXSID
DTXSID201009081- ChEMBL
CHEMBL2105657- UNII
- CN8EF9N084
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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