Basic information
- CAS
2055496-11-0- Standard SMILES
O=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ccc4cc(C(F)(F)F)cc(Cl)c43)c2Cl)CC1- InChIKey
MNEOHCYSHVKLIC-UHFFFAOYSA-N- Molecular formula
- C24H20Cl3F3N2O3
- Average molar mass
- 547.8 g/mol
- Monoisotopic mass
- 546.04916
Overview
Cedirogant is under investigation in clinical trial NCT05044234 (A Study to Assess Adverse Events and Disease Activity With Cedirogant (ABBV-157) in Adult Participants With Moderate to Severe Psoriasis).
Names & identifiers
- Preferred name
- Cedirogant
- IUPAC
- 2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid
- English name
- 4-Piperidineacetic acid, 1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl]benzoyl]-
- Molecular formula
- C24H20Cl3F3N2O3
- Molecular weight
- 547.78
Names & synonyms
Cedirogant2055496-11-0UNII-X6466M4LVPCedirogant [INN]Cedirogant [USAN]ABBV-157X6466M4LVPABV-157(1-(2,4-Dichloro-3-((7-chloro-5-(trifluoromethyl)-1hindol-1-yl)methyl)benzoyl)piperidin-4-yl)acetic acid4-Piperidineacetic acid, 1-(2,4-dichloro-3-((7-chloro-5-(trifluoromethyl)-1H-indol-1-yl)methyl)benzoyl)-[1-(2,4-dichloro-3-{[7-chloro-5-(trifluoromethyl)-1Hindol-1-yl]methyl}benzoyl)piperidin-4-yl]acetic acid4-Piperidineacetic acid, 1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl]benzoyl]-
Show more names
1-[2,4-Dichloro-3-[[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl]benzoyl]-4-piperidineacetic acid (ACI)Inhibitor,inverse,ROR,Cedirogant,ABBV157,RORγt,RAR-related orphan receptor,psoriasis,inhibit,agonist,ABBV 157
RefChem:1241812-(1-(2,4-dichloro-3-((7-chloro-5-(trifluoromethyl)-1H-indol-1-yl)methyl)benzoyl)piperidin-4-yl)acetic acidCedirogant [USAN:INN]WHO 114602-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acidCedirogant [WHO-DD]Cedirogant (USAN/INN)Cedirogant, 10 mM in DMSO
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 781
Physicochemical properties
- Boiling point
- 714.4 · 714.4±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO : 250 mg/mL (456.39 mM; Need ultrasonic)
- form
- Solid
- pka
- 4.66 · 4.66±0.10(Predicted)
- color
- White to off-white
- FDA UNII
- 6466 M4LVP · X6466M4LVP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesCedirogant (ABBV-157) is an orally active RORγt inverse agonist. Cedirogant can be used for psoriasis research[1][2].
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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