Basic information
- CAS
141266-44-6- Standard SMILES
O=C1NC(=O)C(C2c3cc(Cl)ccc3Oc3[nH]c(=O)[nH]c(=O)c32)C(=O)N1- InChIKey
GGEVZGGAQHNWQN-UHFFFAOYSA-N- Molecular formula
- C15H9ClN4O6
- Average molar mass
- 376.71 g/mol
- Monoisotopic mass
- 376.02106169
Names & identifiers
- Preferred name
- 5-(6-Chloro-2,4-dioxo-1,3,4,10-tetrahydro-2H-9-oxa-1,3-diaza-anthracen-10-yl)-pyrimidine-2,4,6-trione
- IUPAC
- 5-(7-chloro-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(6-Chloro-2,4-dioxo-1,3,4,10-tetrahydro-2H-9-oxa-1,3-diaza-anthracen-10-yl)-pyrimidine-2,4,6-trione
- Molecular formula
- C15H9ClN4O6
- Molecular weight
- 376.71
Names & synonyms
EM20-25141266-44-65-(6-Chloro-2,4-dioxo-1,3,4,10-tetrahydro-2H-9-oxa-1,3-diaza-anthracen-10-yl)-pyrimidine-2,4,6-trioneBcl-2 Inhibitor III, EM20-255-(7-chloro-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trioneBcl-2 Inhibitor IIISCHEMBL17329298DTXSID80404527GLXC-07380AKOS024359894HY-101999CS-0022438
Show more names
Bcl-2InhibitorIII,EM20-25Bcl-2 Inhibitor III, EM20-25 - CAS 141266-44-6 - Calbiochem5-(7-chloro-2,4-dioxo-1,3-dihydro-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3,5-trihydropyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(7-chloro-1,3,4,5-tetrahydro-2,4-dioxo-2H-[1]benzopyrano[2,3-d]pyrimidin-5-yl)-
ST50989532EM20-25, >=98% (HPLC)AG-205/320570465-(7-Chloro-2,4-dioxo-1,3,4,5-tetrahydro-2H-[1]benzopyrano[2,3-d]pyrimidin-5-yl)-1,3-diazinane-2,4,6-trione5-(7-chloro-2,4-dioxo-1,3-dihydro-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3,5-trih ydropyrimidine-2,4,6-trione
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 760
Physicochemical properties
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · DMSO: ≥5mg/mL at ~60°C
- pka
- 3.18 · 3.18±0.20(Predicted)
- form
- powder
- color
- light yellow to yellow
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- Hazard Codes
- N
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 3
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesEM20-25 is a disruptor of Bcl-2/BAX interactions. These disruptions occasionally have been seen to induce apoptosis in tumor cells.
Suppliers5 total
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [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
Loading…