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A-971432

CAT: 0013-GTR19190459-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190459-02Size:5 mg
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Description
A-971432 is a selective S1P5 receptor agonist (IC50 = 6 nM) that enhances blood-brain barrier integrity in vitro and shows efficacy in vivo. In models of Huntington's disease and aging, it improves behavioral outcomes and reduces barrier leakage, supporting its research use in neuroprotection and cerebrovascular studies.
CAS Number
1240308-45-5
Field of Research
Pharmacology & Drug Discovery
Smiles
C (N1CC (C (O) =O) C1) C2=CC=C (OCC3=CC (Cl) =C (Cl) C=C3) C=C2
Molecular Formula
C18H17Cl2NO3
Molecular Weight
366.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A-971432
CAS Number1240308-45-5
PubChem CID46872626
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.2
XLogP1.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity422
SMILES
C1C(CN1CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
InChIKey
WAAWETUDFSIYSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-971432
CAS: 1240308-45-5
CID: 46872626
Formula: C18H17Cl2NO3
MW: 366.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.2
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass365.0585488
Monoisotopic Mass365.0585488
Topological Polar Surface Area49.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity422
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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CatalogName
QZB30845A 971432
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5766/50A 971432 50 mg
5766/10A 971432 10 mg

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