Basic information
- CAS
1217195-61-3- Standard SMILES
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccccc3n2)cc1.Cl.Cl- InChIKey
WWIFDJIOGCGSBS-IVKCLRODSA-N- Molecular formula
- C22H28Cl2N4O
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 434.1640169
Names & identifiers
- Preferred name
- CP 31398 Dihydrochloride
- IUPAC
- N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
- English name
- CP-31398 Dihydrochloride Hydrate
- Molecular formula
- C22H26N4O
- Molecular weight
- 362.46804
Names & synonyms
1217195-61-3CP 31398 DIHYDROCHLORIDECP-31398 DihydrochlorideN1-(2-(4-Methoxystyryl)quinazolin-4-yl)-N3,N3-dimethylpropane-1,3-diamine dihydrochlorideCP-31398 2HClCP-31398 dihydrochloride hydrateCP-31398 (dihydrochloride)259199-65-0(E)-N1-(2-(4-methoxystyryl)quinazolin-4-yl)-N3,N3-dimethylpropane-1,3-diamine dihydrochlorideMFCD11519956C22H28Cl2N4OCP 31398 dihydrochloride?
Show more names
CP 31,398 hydrochlorideCP-31398 dihydrochloride, 10 mM in DMSOCP 31398,inhibit,CP-31398,CP31398 dihydrochloride,MDM-2/p53,CP31398,InhibitorN′-[2-[2-(4-Methoxyphenyl)ethenyl]-4-quinazolinyl]-N,N-dimethyl-1,3-propanediamine dihydrochloride hydrate
CP-31398 DiHCl Hydrateorb1306259SCHEMBL18614377SCHEMBL29531458DTXSID40431374GLXC-20087SYB19561Tox21_501274
Database identifiers
- CAS
1217195-61-3、259199-65-0
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 43.54 mg/ml · <43.54mg/ml in DMSO; <43.54mg/ml in H2O
- form
- solid
- color
- yellow
- Water Solubility
- 2 O: · H2O: ≥20mg/mL
- InChIKey
- JXIVIAMOMIONKY-UWCBQFGESA-N
- SMILES
- O.Cl.Cl.COc1ccc(cc1)\C=C\c2nc(NCCCN(C)C)c3ccccc3n2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H413
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H413
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesCP-31398 dihyrochloride hydrate is a p53 stabilizer; apoptosis inducer.
UsesCP-31398 dihydrochloride hydrate has been used as a p53 stabilizer:to evaluate its effects on the upregulation of miRNA in human neuroblastoma cellsto study its effects on arsenic trioxide (ATO) stabilization of p53 foldingto study its effects on regulation of miR-34 in PC12 cells
Suppliers43 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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025-66061636 19370895928 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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