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AER-271

CAT: 0013-GTR19217344-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217344-01Size:200 mg
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Description
AER-271 (AER271) is a selective, small molecule inhibitor of aquaporin-4 (AQP4), the prodrug of AER-270 with enhanced solubility; shows improved neurological outcome and reduced swelling in two models of CNS injury complicated by cerebral edema.Other Indication Phase 1 Clinical (In Vivo) :AER-271 is converted in vivo to AER-270 by endogenous phosphatases. AER-271 blocks acute cerebral edema and improves early outcome in a pediatric model of asphyxial cardiac arrest.AER-271 reduces cerebral edema and improves neurological outcomes in rodent ischemic stroke models. Mice treated with AER-271 (5 mg/kg; i.p. injection) show improved outcomes and reduced cerebral edema in a model of ischemic stroke.
CAS Number
634913-39-6
Product Name Alternative
AER271
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (269.60 mM)
Smiles
O=P (O) (OC1=CC=C (Cl) C=C1C (NC2=CC (C (F) (F) F) =CC (C (F) (F) F) =C2) =O) O
Molecular Formula
C15H9ClF6NO5P
Molecular Weight
463.653
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-{[3,5-Bis (trifluoromethyl) phenyl]carbamoyl}-4-chlorophenyl dihydrogen phosphate

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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