(R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
Basic information
- CAS
72814-32-5- Standard SMILES
O=C(O)CCCCCC[C@H]1C(=O)NC(=O)N1CC[C@@H](O)C1CCCCC1- InChIKey
ZIDQIOZJEJFMOH-JKSUJKDBSA-N- Molecular formula
- C19H32N2O5
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.23112213
Overview
(3R,4S)-BW 245C is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C. It is an enantiomer of a (3S,4R)-BW 245C.
Names & identifiers
- Preferred name
- (R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
- IUPAC
- 7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
- English name
- BW 245C
- Molecular formula
- C19H32N2O5
- Molecular weight
- 368.47
Names & synonyms
72814-32-5BW245C72880-75-2(R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid5B26TJM1L8(3R,4S)-BW 245C4-Imidazolidineheptanoic acid, 3-((3R)-3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-, (4S)-rel-7-[(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl]heptanoic acidA1AF87-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acidBW-245CZIDQIOZJEJFMOH-JKSUJKDBSA-N
Show more names
BW 245C3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-(R*,S*)-(±)-4-imidazolineheptanioc acid3-(3-CYCLOHEXYL-3-HYDROXYPROPYL)-2,5-DIOXO-(R*,S*)-(+/-)-4-IMIDAZOLINEHEPTANOIC ACID(4S)-(3-[(3R,S)-3-CYCLOHEXYL-3-HYDROXYPROPYL]-2,5-DIOXO)-4-IMIDAZOLIDINE-HEPTANOIC ACID4-Imidazolidineheptanoic acid, 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxo-, (R*,S*)-( -)-4-Imidazolidineheptanoic acid, 3-[(3S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxo-, (4R)-rel-
EINECS 276-959-6UNII-5B26TJM1L8Lopac0_000951orb1707506SCHEMBL3367712DTXSID00223176CHEBI:131500EX-A11199
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 30 mg/mL, · DMSO: 30 mg/mL, soluble
- form
- solid
- pka
- 4.77 · 4.77±0.10(Predicted)
- color
- off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 B26TJM1L8 · 5B26TJM1L8
- 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
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
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBW 245C is a DP agonist, affecting the signaling pathway on primary cultured rat hippocampal neuron injuries.
Additional notes
DefinitionChEBI: (3R,4S)-BW 245C is a 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C. It is an enantiomer of a (3S,4R)-BW 245C.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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