Basic information
- CAS
381683-94-9- Standard SMILES
O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1- InChIKey
HIZOPJQOPKRKFM-UHFFFAOYSA-N- Molecular formula
- C40H35Cl3N2O4S
- Average molar mass
- 746.1 g/mol
- Monoisotopic mass
- 744.13831164
Overview
structure in first source
Names & identifiers
- Preferred name
- Efipladib
- IUPAC
- 4-[3-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid
- English name
- EFIPLADIB
- Molecular formula
- C40H35Cl3N2O4S
- Molecular weight
- 746.14
Names & synonyms
Efipladib381683-94-9PLA-902S97YUG2A914-(3-(5-Chloro-2-(2-(((3,4-dichlorobenzyl)sulfonyl)amino)ethyl)-1-(diphenylmethyl)-1H-indol-3-yl)propyl)benzoic acidefipladibum4-[3-[5-chloro-2-[2-[[(3,4-dichlorobenzyl)sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1h-indol-3-yl]propyl]benzoic acid4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1h-indol-3-yl]propyl}benzoic acidRefChem:136332Efipladib [USAN:INN]UNII-S97YUG2A91CHEMBL272342
Show more names
PLA902PLA 902Efipladib (PLA 902)4-(3-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophenyl)MethylsulfonaMido)ethyl)-1H-indol-3-yl)propyl)benzoic acidBenzoic acid, 4-[3-[5-chloro-2-[2-[[[(3,4-dichlorophenyl)methyl]sulfonyl]amino]ethyl]-1-(diphenylmethyl)-1H-indol-3-yl]propyl]-
Efipladib (USAN)EFIPLADIB [USAN]4-[3-[1-benzhydryl-5-chloro-2-[2-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acidEfipladib [INN]4-(3-(5-Chloro-2-(2-((((3,4-dichlorophenyl)methyl)sulfonyl)amino)ethyl)-1-(diphenylmethyl)-1H-indol-3-yl)propyl)benzoic acidorb1700669SCHEMBL1500831SCHEMBL29586714
Database identifiers
- CAS
381683-94-9- PubChem CID
- 9853499
- DTXSID
DTXSID20870343- ChEMBL
CHEMBL272342- UNII
- S97YUG2A91
- Nikkaji
- J2.856.479A
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 891.2 · 891.2±75.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 4.34 · 4.34±0.10(Predicted)
- FDA UNII
- 97 YUG2A91 · S97YUG2A91
Chemistry & industry
Applications
UsesTreatment of pain and symptomatic management of arthritis.
Suppliers5 total
天津安浩生物科技有限公司[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
10 records
Compound notes
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