Basic information
- CAS
2567686-02-4- Standard SMILES
COC1CN(C2CCC([C@]3(C)Oc4c(Cl)cc(C(=O)N5CSC6=C(C5)C(O)NC(C)=C6)c(C)c4O3)CC2)C1- InChIKey
QTIGEIBPJILNHJ-HXIQTTQPSA-N- Molecular formula
- C28H36ClN3O5S
- Average molar mass
- 562.1 g/mol
- Monoisotopic mass
- 561.2064201
Names & identifiers
- Preferred name
- (2R)-7-chloro-N-[[1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyr idinyl]methyl]-2-[trans-4-(3-methoxy-1-azetidinyl)cyclohexyl]-2,4-dimethyl-1,3-Benzodioxole-5-carboxamide
- IUPAC
- [(2S)-7-chloro-2-[4-(3-methoxyazetidin-1-yl)cyclohexyl]-2,4-dimethyl-1,3-benzodioxol-5-yl]-(5-hydroxy-7-methyl-2,4,5,6-tetrahydropyrido[3,4-e][1,3]thiazin-3-yl)methanone
- English name
- Tulmimetostat
- Molecular formula
- C28H36ClN3O5S
- Molecular weight
- 562.12
Names & synonyms
NSC856630NSC-856630(2R)-7-chloro-N-[[1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyr idinyl]methyl]-2-[trans-4-(3-methoxy-1-azetidinyl)cyclohexyl]-2,4-dimethyl-1,3-Benzodioxole-5-carboxamideCPI-0209TulmimetostatTulmimetostat (CPI-0209)(R)-7-Chloro-2-(trans-4-(3-methoxyazetidin-1-yl)cyclohexyl)-2,4-dimethyl-N-((6-methyl-4-(methylthio)-2-oxo-1,2-dihydropyridin-3-yl)methyl)benzo[d][1,3]dioxole-5-carboxamide1,3-Benzodioxole-5-carboxamide, 7-chloro-N-[[1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyridinyl]methyl]-2-[trans-4-(3-methoxy-1-azetidinyl)cyclohexyl]-2,4-dimethyl-, (2R)-(2R)-7-Chloro-N-[[1,2-dihydro-6-methyl-4-(methylthio)-2-oxo-3-pyridinyl]methyl]-2-[trans-4-(3-methoxy-1-azetidinyl)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide (ACI)
Database identifiers
- CAS
2567686-02-4- PubChem CID
- 175667676
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 997
Physicochemical properties
- Boiling point
- 653.6 · 653.6±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.89 · 10.89±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 N85Z0B · OUQ4N85Z0B
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesTulmimetostat (CPI-0209) is an orally active EZH1/EZH2 inhibitor that targets and inhibits the EZH2 enzyme.Tulmimetostat has antitumor activity and is used in a variety of solid tumor studies[1][2][3][4].
Suppliers13 total
天津欣康佑生物科技有限公司19922659386 19922659386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
西安奕诺生物科技有限公司18809207782 18809207782 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海蓓琅生物科技有限公司17764003753 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…