Basic information
- CAS
866823-73-6- Standard SMILES
Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2- InChIKey
KMKBEESNZAPKMP-UHFFFAOYSA-N- Molecular formula
- C30H30O4
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.21440943
Overview
Biphenylindanone a is a member of biphenyls.
Names & identifiers
- Preferred name
- biphenyl-indanone A
- IUPAC
- 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
- English name
- Biphenylindanone A
- Molecular formula
- C30H30O4
- Molecular weight
- 454.56
Names & synonyms
Biphenyl-indanone ABINA cpdRefChem:9172163'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)biphenyl-4-carboxylic acidBiphenylindanone A866823-73-6BINABINA;3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic acid4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic AcidCHEMBL5930133'-(((2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)methyl)-[1,1'-biphenyl]-4-carboxylic acid
Show more names
CS-203MRLSD 230BINA, >=98%3'-[[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylicacid[1,1'-Biphenyl]-4-carboxylic acid, 3'-[[(2-cyclopentyl-2,3-dihydro-6,7-diMethyl-1-oxo-1H-inden-5-yl)oxy]Methyl]-
3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic Acid; Biphenyl indanone A; MRLSD 2303'-{[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-[1,1'-biphenyl]-4-carboxylic acidBiphenylindanone A?LS-193,571GTPL3954orb1707547SCHEMBL2456715SCHEMBL29462274
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 719
Physicochemical properties
- Melting point
- 238 · 238-241℃
- Boiling point
- 676.9 · 676.9±55.0 °C(Predicted)
- Density
- 1.22 · 1.220
- storage temp.
- Desiccate at RT
- solubility
- 18 mg/mL · DMSO: ≥18mg/mL
- pka
- 4.17 · 4.17±0.10(Predicted)
- form
- powder
- color
- white to tan
- InChIKey
- KMKBEESNZAPKMP-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionThe metabotropic glutamate receptor 2 (mGluR2) is a Gi/o-coupled receptor which is expressed on presynaptic nerve terminals and modulates the release of neurotransmitters like glutamate and GABA. Biphenylindanone A (BINA) is a positive allosteric modulator of mGluR2, stimulating the human and rat receptors with EC50 values of 33.2 and 96 nM, respectively. It has no effect on glutamate-induced activation of other mGluR types. BINA can be used on cells, tissues, or animals. Because of its selectivity for mGluR2, robust in vivo activity, and brain penetrance, BINA can be used to elucidate the role of mGluR2 in such diverse processes as psychosis, schizophrenia, and drug addiction.
UsesBiphenylindanone A is an orally active metabotropic glutamate subtype 2 receptor positive allosteric modulator.
Suppliers30 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
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Compound notes
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