Basic information
- CAS
1336960-13-4- Standard SMILES
O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12- InChIKey
UIVOZBSCHXCGPS-UHFFFAOYSA-N- Molecular formula
- C37H38BrF3N4O
- Average molar mass
- 691.6 g/mol
- Monoisotopic mass
- 690.21811
Overview
GSK2193874 is an organic molecular entity. It has a role as an antagonist.
Names & identifiers
- Preferred name
- Gsk2193874
- IUPAC
- 7-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
- English name
- 3-([1,4′-Bipiperidin]-1′-ylmethyl)-7-bromo-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
- Molecular formula
- C37H38BrF3N4O
- Molecular weight
- 691.62
Names & synonyms
GSK21938747-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl) methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide7-bromo-N-(1-phenylcyclopropyl)-3-((4-piperidin-1-ylpiperidin-1-yl) methyl)-2-(3-(trifluoromethyl)phenyl)quinoline-4-carboxamideRefChem:1445431336960-13-4GSK 2193874GSK-21938743-([1,4'-Bipiperidin]-1'-ylmethyl)-7-bromo-N-(1-phenylcyclopropyl)-2-(3-(trifluoromethyl)phenyl)quinoline-4-carboxamideGTPL6465SCHEMBL24045407-bromo-N-(1-phenylcyclopropyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamideCHEMBL4073922
Show more names
GSK2193874 ，S8367GSK2193874 >=98% (HPLC)GSK2193874, 10 mM in DMSOTRPV4 antagonist GS2193874GSK2193874,inhibit,GSK 2193874,Transient receptor potential channels,GSK-2193874,Inhibitor,TRP Channel3-([1,4′-Bipiperidin]-1′-ylmethyl)-7-bromo-N-(1-phenylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Boiling point
- 737.8 · 737.8±60.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 10 mg/mL, · DMSO: soluble10mg/mL, clear
- pka
- 12.82 · 12.82±0.20(Predicted)
- form
- powder
- color
- white to beige
- InChIKey
- UIVOZBSCHXCGPS-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(ccc1)c2nc3c(c(c2CN6CCC(CC6)N7CCCCC7)C(=O)NC5(CC5)c4ccccc4)ccc(c3)Br
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 301 · P301+P310+P330-P302+P352-P305+P351+P338
- target organs
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P310+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesGSK 2193874 is an orally active, potent and selective TRPV4 antagonist.
UsesGSK2193874 has been used as a transient receptor potential vanilloid 4 (TRPV4) antagonist:to study its effects on GSK101-induced colon contractions in miceto study its effects on murine compact bone-derived osteoblasts(CB-OB)to study its effects on lung injury post-lipopolysaccharide (LPS) in mice
Upstream & downstream products
Upstream raw materials
Suppliers70 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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