Dcpib
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Basic information
- CAS
82749-70-0- Standard SMILES
CCCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
KHKGTPJPBOQECW-UHFFFAOYSA-N- Molecular formula
- C22H28Cl2O4
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 426.1364648
Names & identifiers
- Preferred name
- Dcpib
- IUPAC
- 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
- English name
- DCPIB
- Molecular formula
- C22H28Cl2O4
- Molecular weight
- 427.36
Names & synonyms
DCPIB82749-70-0DTXSID904351654-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acidRefChem:131058DTXCID10385991636-002-9MFCD077839954-[(2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-5-indanyl)oxy]butanoic Acid4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic Acid
Show more names
DCPIB, 10 mM in DMSO4-(2-BUTYL-6,7-DICHLORO-2-CYCLOPENTYLINDAN-1-ON-5-YL)OXYBUTYRIC ACIDButanoic acid, 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]-Cl-Channels,Chloride Channel,cardiomyocytes,DCPIB,ischemia,COS-7,KcsA,Potassium Channel,CPAE cell,Inhibitor,inhibit,swelling,rMCAO
4-[(2-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acidCHEMBL152557GTPL4174orb1219386orb1309784SCHEMBL11025104SCHEMBL29440645CHEBI:91677
Database identifiers
- CAS
82749-70-0- PubChem CID
- 10071166
- DTXSID
DTXSID90435165- ChEMBL
CHEMBL152557- ChEBI
CHEBI:91677- EC Number
- 636-002-9
- Nikkaji
- J1.666.804D
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 593.8 · 593.8±50.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 2 O; · insoluble in H2O; ≥49.8 mg/mL in EtOH; ≥50.8 mg/mL in DMSO
- form
- solid
- pka
- 4.53 · 4.53±0.10(Predicted)
- color
- White
- InChI
- 1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)
- InChIKey
- KHKGTPJPBOQECW-UHFFFAOYSA-N
- SMILES
- CCCCC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H413-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 25 · 25-41
- Safety Statements
- 26 · 26-36/39-45
- WGK Germany
- 3 · WGK 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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)；Aquatic Chronic 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-36/39-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H413-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesDCPIB is a potent, selective blocker of the volume-sensitive anion channel (VSAC) in rat pancreatic β-cells.
Additional notes
DefinitionChEBI: 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid is a member of indanones.
Suppliers
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Related reactions
2 records
Compound notes
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