Basic information
- CAS
5812-07-7- Standard SMILES
CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1- InChIKey
UAKWLVYMKBWHMX-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Overview
SU4312 is a member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group. SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity. It has a role as a geroprotector, an antineoplastic agent, an angiogenesis inhibitor, a neuroprotective agent and a vascular endothelial growth factor receptor antagonist. It is a member of oxindoles, a substituted aniline and a tertiary amino compound.
Names & identifiers
- Preferred name
- 3-(4-Dimethylaminobenzylidenyl)-2-indolinone
- IUPAC
- 3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
- English name
- SU 4312
- Molecular formula
- C17H16N2O
- Molecular weight
- 264.32
Names & synonyms
5812-07-73-(4-dimethylamino-benzylidenyl)-2-indolinoneDTXSID8010172603-(4-Dimethylaminobenzylidenyl)-2-indolinoneDMBI, indolinone3-(4-(Dimethylamino)benzylidene)-1,3-dihydro-2H-indol-2-oneRefChem:4929693-[4-(dimethylamino)benzylidene]-1,3-dihydro-2H-indol-2-oneDTXCID5014754553-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-onedmbi3-[4-(dimethylamino)benzylidene]indolin-2-one
Show more names
SU 4312NSC 86429SU4312(NSC86429)SU4312, 10 mM in DMSOSU 4312NSC 86429SU-4312NSC-86429(Z)-3-(4-(DIMETHYLAMINO)BENZYLIDENE)INDOLIN-2-ONESU4312, VEGFR and PDGFR receptor tyrosine kinase inhibitor3-[[(4-DIMETHYLAMINO)PHENYL]METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE2H-Indol-2-one, 3-[[4-(dimethylamino)phenyl]methylene]-1,3-dihydro
3-(4-(dimethylamino)benzylidene)indolin-2-oneKBioGR_000338KBioSS_000338SCHEMBL6446783-[[4-(dimethylamino)phenyl]methylene]-1,3-dihydro-2H-indol-2-oneCHEBI:92369KBio2_000338KBio2_002906
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 225 · 225-232 °C
- Boiling point
- 497.1 · 497.1±45.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 30 mg/mL · DMSO: 30 mg/mL
- form
- Orange solid.
- pka
- 12.89 · 12.89±0.20(Predicted)
- color
- orange
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
- InChI
- 1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11+
- InChIKey
- UAKWLVYMKBWHMX-RVDMUPIBSA-N
- SMILES
- CN(C)c1ccc(cc1)\C=C2\C(=O)Nc3ccccc23
- FDA UNII
- 8 MQ534B · QTW8MQ534B
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionSU-4312 (5812-07-7) is a potent selective inhibitor of VEGFR kinase (also known as Flk-1 and KDR). Inhibition of the activated kinase (IC50 = 0.4 μM) is 100-fold less than inhibition of the unactivated kinase (IC50 = 0.04 μM). SU-4312 also inhibits PDGFR kinase (IC50 = 19.4 μM).
UsesSU 4312 is a vascular endothelial growth factor receptor KDR tyrosine kinase antagonist.
Suppliers56 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [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]
VDM Biochemicals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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