Basic information
- CAS
391670-48-7- Standard SMILES
O=C(O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc12- InChIKey
DNABALWBHCYRNL-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Overview
a casein kinase II inhibitor; structure in first source
Names & identifiers
- Preferred name
- (5-Oxo-5,6-dihydroindolo(1,2-a)quinazolin-7-yl)acetic acid
- IUPAC
- 2-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)acetic acid
- English name
- 5,6-Dihydro-5-oxoindolo[1,2-a]quinazoline-7-acetic acid
- Molecular formula
- C17H12N2O3
- Molecular weight
- 292.29
Names & synonyms
(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid(5-oxo-5,6-dihydroindolo(1,2-a)quinazolin-7-yl)acetic acidODIQ-acetic acidRefChem:404057391670-48-7(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACIDIQA5,6-Dihydro-5-oxoindolo[1,2-a]quinazoline-7-acetic acidCGP-029482CHEMBL923612-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)acetic acid1om1
Show more names
Casein Kinase II Inhibitor IX, IQA2-(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acidIndolo[1,2-a]quinazoline-7-acetic acid, 5,6-dihydro-5-oxo-2-(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acidCasein Kinase II Inhibitor IX, IQA - CAS 391670-48-7 - Calbiochem
SCHEMBL263731orb1740173SCHEMBL29765380SCHEMBL30263671BDBM113192-{5-oxo-5H,6H-indolo[1,2-a]quinazolin-7-yl}acetic acidHMS3229D05HMS3674K13
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 383.5 · 383.5±34.0 °C(Predicted)
- Density
- 1.46 · 1.46
- storage temp.
- 2 C · +2C to +8C
- solubility
- 10 mg/ml · DMSO: 10 mg/ml
- form
- Light yellow solid
- pka
- 4.32 · 4.32±0.10(Predicted)
- color
- light yellow
- InChI
- 1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8,12H,9H2,(H,20,21)
- InChIKey
- DNABALWBHCYRNL-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 2 · WGK 2
- Storage Class
- 11 · 11 - Combustible Solids
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 2
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesIQA (CGP-029482) is a potent and selective protein kinase CK2 inhibitor[1].
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…