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AER-271

CAT: 0013-GTR19166207-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166207-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AER-271 is a selective small molecule inhibitor of aquaporin-4 (AQP4) . It is a valuable research tool for studying AQP4 function in models of neuromyelitis optica (NMO), stroke, and traumatic brain injury, facilitating both in vitro and in vivo experimental investigations.
CAS Number
634913-39-6
Product Name Alternative
CNS, AQP4, aquaporin-4, acute, AER 271, AER-270, AER271, AER-271, injury, ischemic, inhibit, Inhibitor, stroke
Field of Research
Pharmacology & Drug Discovery
Purity
97.45% (May vary between batches)
Solubility
DMSO:27.5 mg/mL (59.31 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.31 mM)
Smiles
N (C (=O) C1=C (OP (=O) (O) O) C=CC (Cl) =C1) C2=CC (C (F) (F) F) =CC (C (F) (F) F) =C2
Molecular Formula
C15H9ClF6NO5P
Molecular Weight
463.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3,5-Bis(trifluoromethyl) phenyl)carbamoyl)-4-chlorophenyl dihydrogen phosphate
CAS Number634913-39-6
PubChem CID10412080
IUPAC Name[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-chlorophenyl] dihydrogen phosphate
Molecular FormulaC15H9ClF6NO5P
Molecular Weight463.65
XLogP3.5
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity620
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OP(=O)(O)O
InChI
InChI=1S/C15H9ClF6NO5P/c16-9-1-2-12(28-29(25,26)27)11(6-9)13(24)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6H,(H,23,24)(H2,25,26,27)
InChIKey
WSHXPHFIHYXZKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3,5-Bis(trifluoromethyl) phenyl)carbamoyl)-4-chlorophenyl dihydrogen phosphate
CAS: 634913-39-6
CID: 10412080
Formula: C15H9ClF6NO5P
MW: 463.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.65
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass462.9811061
Monoisotopic Mass462.9811061
Topological Polar Surface Area95.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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