Bisindolylmaleimide V
Basic information
- CAS
113963-68-1- Standard SMILES
CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O- InChIKey
SWAWYMIKGOHZMR-UHFFFAOYSA-N- Molecular formula
- C21H15N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.11642673
Overview
Ro 31-6045 is a member of indoles.
Names & identifiers
- Preferred name
- Bisindolylmaleimide V
- IUPAC
- 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
- English name
- Bisindolylmaleimide V
- Molecular formula
- C21H15N3O2
- Molecular weight
- 341.36
Names & synonyms
bisindolylmaleimide v113963-68-1DTXSID501506202,3-bis(indol-3-yl)-N-methylmaleimideRefChem:917328DTXCID50731113,4-di(1H-indol-3-yl)-1-methyl-1H-pyrrole-2,5-dione1-Methyl-3,4-bis(3-indolyl)maleimideRo 31-60453,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dioneBIM V1-Methyl-3,4-bis(indol-3-yl)maleimide
Show more names
Sotrastaurin Impurity 12n-methylbis(indol-3-yl)maleimideBisindolylMaleiMide V [Ro 31-6045]2,3-Di(1H-Indol-3-yl)-N-methylmaleimide3,4-Di-1H-indol-3-yl-1-methyl-1H-pyrrole-2,5-dione
3,4-bis(1H-indol-3-yl)-1-methyl-pyrrole-2,5-dione2,3-bis(1H-Indol-3-yl)-N-methylmaleimideMFCD002364333,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dioneCHEMBL291725SCHEMBL39458821H-Pyrrole-2,5-dione, 3,4-di-1H-indol-3-yl-1-methyl-NSC767267
Database identifiers
- CAS
113963-68-1- PubChem CID
- 2400
- DTXSID
DTXSID50150620- ChEMBL
CHEMBL291725- ChEBI
CHEBI:186275- EC Number
- 601-289-1
- Nikkaji
- J442.994J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Melting point
- 260 °C · >260 °C
- Boiling point
- 655.7 · 655.7±55.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- DMSO: soluble
- form
- solid
- pka
- 15.89 · 15.89±0.30(Predicted)
- color
- Orange
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
- InChI
- 1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
- InChIKey
- SWAWYMIKGOHZMR-UHFFFAOYSA-N
- CAS DataBase Reference
- 113963 · 113963-68-1(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionRo 31-6045 (113963-68-1) is a bis indolylmaleimide derivative that is a potent inhibitor of the mitogen-stimulated protein kinase p70 (S6K) acting independently of its upstream activator mTOR.1Does not inhibit PKC (at concentrations <100mM) and therefore may be used as a negative control for bisindolylmaleimide PKC inhibitors2such as GF 109203X3and other structurally related inhibitors4.
UsesBisindolylmaleimide V is a cell-permeable negative control for protein kinase C inhibition studies with an IC50 value over 100 μM[1]. Bisindolylmaleimide V blocks the activation of mitogen-stimulated protein kinase p70s6k/p85s6k (S6K) in vivo with an IC50 of 8 μM[2].
Additional notes
DefinitionChEBI: Ro 31-6045 is a member of indoles.
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