Basic information
- CAS
145915-58-8- Standard SMILES
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21- InChIKey
AAALVYBICLMAMA-UHFFFAOYSA-N- Molecular formula
- C20H15N3O2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.11642673
Overview
4,5-dianilinophthalimide is phthalimide substituted at the 4- and 5-positions by anilino groups. It has a role as a geroprotector and a tyrosine kinase inhibitor.
Names & identifiers
- Preferred name
- 4,5-Dianilinophthalimide
- IUPAC
- 5,6-dianilinoisoindole-1,3-dione
- English name
- DAPH
- Molecular formula
- C20H15N3O2
- Molecular weight
- 329.35
Names & synonyms
DAPH4,5-dianilinophthalimide145915-58-8Cgp 52411Cgp-524115,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 5,6-bis(phenylamino)-J587.895KZ13D008FZ2DTXSID4040393CHEBI:53110RefChem:96433
Show more names
DAPH-1 (DAPHDAPH/CGP 52411CGP52411, 10 mM in DMSODAPH >=98% (HPLC), solid4,5-Dianilinophthalimide, 5,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione, CGP 52411
DTXCID2020393406-050-3DAPH1CGP524115,6-Bis(phenylamino)isoindoline-1,3-dione157168-02-05,6-dianilinoisoindole-1,3-dione5,6-dianilino-1h-isoindole-1,3(2h)-dione
Database identifiers
- CAS
145915-58-8- PubChem CID
- 1697
- DTXSID
DTXSID4040393- ChEMBL
CHEMBL268868- ChEBI
CHEBI:53110- UNII
- Z13D008FZ2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Melting point
- 199 · 199-202℃
- Density
- 1.374 · 1.374
- storage temp.
- 2 · 2-8°C
- solubility
- 30 mg/mL · DMSO: ~30 mg/mL
- form
- solid
- pka
- 9.06 · 9.06±0.20(Predicted)
- color
- orange
- InChI
- 1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
- InChIKey
- AAALVYBICLMAMA-UHFFFAOYSA-N
- SMILES
- O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12
- FDA UNII
- 13 D008FZ2 · Z13D008FZ2
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: DAPH (EC: 406-050-3)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303
- Precautionary statements
- P312
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.
Applications
UsesCGP 52411 is a protein-tyrosine kinase inhibitor with selectivity for the epidermal growth factor receptor signal transduction pathway and potent in vivo antitmuor activity. It may offer therapeutic agents for the treatment of hyperproliferative diseases.
Suppliers20 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [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]
上海铖瑞生物科技有限公司17316456674 15316859367 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
6 records
Compound notes
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