Basic information
- CAS
222834-30-2- Standard SMILES
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O- InChIKey
WMUIIGVAWPWQAW-DEOSSOPVSA-N- Molecular formula
- C25H25NO5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.1732729
Names & identifiers
- Preferred name
- (2S)-2-Ethoxy-3-{4-[2-(10H-phenoxazin-10-YL)ethoxy]phenyl}propanoic acid
- IUPAC
- (2S)-2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
- English name
- NNC 61-0029
- Molecular formula
- C25H25NO5
- Molecular weight
- 419.48
Names & synonyms
(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACIDCHEMBL24038NNC-61-0029DRF-2725(alphaS)-alpha-Ethoxy-4-[2-(10H-phenoxazin-10-yl)ethoxy]benzenepropanoic acidUNII-Q5ELR5A7Y51nyxDRF 2725; NN 622(-)-DRF 272(-)-DRF 27252-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acidGTPL2664
Show more names
NNC 61-0029(-)-DRF-2725Benzenepropanoic acid, α-ethoxy-4-[2-(10H-phenoxazin-10-yl)ethoxy]-, (αS)-
orb1699555SCHEMBL4822459(-)-3-(4-(2-(Phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acidSCHEMBL29369224(-)-(2S)-2-Ethoxy-3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)propanoic acidWMUIIGVAWPWQAW-DEOSSOPVSA-NBDBM50109551AKOS040749270
Database identifiers
- CAS
222834-30-2- PubChem CID
- 447458
- ChEMBL
CHEMBL24038
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 608.6 · 608.6±55.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 3.61 · 3.61±0.10(Predicted)
- FDA UNII
- 5 ELR5A7Y5 · Q5ELR5A7Y5
Chemistry & industry
Applications
UsesRagaglitazar is a PPARα and PPARγ agonist with potent lipid-lowering and insulin-sensitizing efficacy in animal models. Ragaglitazar improves glycemic control and lipid profile in type 2 diabetic.
Upstream & downstream products
Downstream products
Suppliers6 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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