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Basic information
- CAS
131848-97-0- Standard SMILES
Cn1cc(C2=C(c3c4n(c5ccccc35)CCC(CN)C4)C(=O)NC2=O)c2ccccc21- InChIKey
QQKKPWJFHBFCTH-UHFFFAOYSA-N- Molecular formula
- C26H24N4O2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.18992602
Names & identifiers
- Preferred name
- Ro 31-8425
- IUPAC
- 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
- English name
- RO-31-8425
- Molecular formula
- C26H24N4O2
- Molecular weight
- 424.49
Names & synonyms
131848-97-0Ro-31-8425Ro31.8425Ro 31-8425RefChem:9308233-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methyl-1H-indol-3-yl)-3-[8-(AMINOMETHYL)-6H,7H,8H,9H-PYRIDO[1,2-A]INDOL-10-YL]-4-(1-METHYL-1H-INDOL-3-YL)-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE1H-Pyrrole-2,5-dione, 3-(8-(aminomethyl)-6,7,8,9-tetrahydropyrido(1,2-a)indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-3-(8-(Aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dioneDTXSID609273653-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione hydrochloride
Show more names
Ro 31-8245RSYYBisindolylmaleimideXhydrochlorideRo-31-8425 - CAS 131848-97-0 - CalbiochemBisindolylMaleiMide X . hydrochloride [Ro 31-8425]3-[8-(Aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
Bisindolylmaleimide X, 98%BDBM2700CHEMBL421565SCHEMBL4360666SCHEMBL29534140EBC-79026HSCI1_000343MFCD00906977
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 825
Physicochemical properties
- Boiling point
- 736.1 · 736.1±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- solubility
- 10 mg/mL · DMSO: 10mg/mL
- form
- Red to orange-red solid
- pka
- 7.91 · 7.91±0.60(Predicted)
- color
- red to orange-red
- InChI
- 1S/C26H24N4O2/c1-29-14-18(16-6-2-4-8-19(16)29)23-24(26(32)28-25(23)31)22-17-7-3-5-9-20(17)30-11-10-15(13-27)12-21(22)30/h2-9,14-15H,10-13,27H2,1H3,(H,28,31,32)
- InChIKey
- QQKKPWJFHBFCTH-UHFFFAOYSA-N
- SMILES
- [n]21c3c(c(c2CC(CC1)CN)C4=C(C(=O)NC4=O)c5c6c([n](c5)C)cccc6)cccc3
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 1 · WGK 1
- HS Code
- 2925199590 · 2925199590
- 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.
Safety data
- wgk
- WGK 1
- hs_code
- 2925199590
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesBisindolylmaleimide X is a selective inhibitor of PKC, also inhibits Cdk2 and GSK-3β.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Related reactions
1 records
Compound notes
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