Basic information
- CAS
137592-47-3- Standard SMILES
O=C1NC(=O)C(c2cn(CCCN3CCNCC3)c3ccccc23)=C1c1c[nH]c2ccccc12- InChIKey
VKLVUAHQOFDKLR-UHFFFAOYSA-N- Molecular formula
- C27H27N5O2
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.21647512
Names & identifiers
- Preferred name
- Bisindolylmaleimide VII
- IUPAC
- 3-(1H-indol-3-yl)-4-[1-(3-piperazin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
- English name
- BISINDOLYLMALEIMIDE VII
- Molecular formula
- C27H27N5O2
- Molecular weight
- 453.54
Names & synonyms
bisindolylmaleimide vii137592-47-33-(1H-indol-3-yl)-4-[1-(3-piperazin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dioneBisindolyl deriv. 24Bisindolylmaleimide VII, 98%BDBM2686CHEMBL446199orb1738648SCHEMBL7978092DTXSID40274364GLXC-152113-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione
Show more names
1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-[1-[3-(1-piperazinyl)propyl]-1H-indol-3-yl]-
3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dioneHY-137045Bisindolylmaleimide VII, 96% (TLC), solidG91362
Database identifiers
- CAS
137592-47-3- PubChem CID
- 2402
- DTXSID
DTXSID40274364- ChEMBL
CHEMBL446199- Nikkaji
- J1.479.496D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 822
Physicochemical properties
- Boiling point
- 761.6 · 761.6±60.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- solid
- pka
- 8.18 · 8.18±0.60(Predicted)
- InChIKey
- VKLVUAHQOFDKLR-UHFFFAOYSA-N
- SMILES
- O=C1NC(=O)C(c2cn(CCCN3CCNCC3)c4ccccc24)=C1c5c[nH]c6ccccc56
- UNSPSC Code
- 12352111 · 12352111
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesBisindolylmaleimide VII is a potent inhibitor of calmodulin with high affinity for calmodulin (Kd=186.2 nM). Bisindolylmaleimide VII is used to study the role of calmodulin in cancer, neurodegenerative diseases, and muscle dysfunction[1].
Suppliers7 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Aladdin Scientific[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [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
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