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ABCA1 inducer 1

CAT: 0013-GTR19238867-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238867-03Size:100 mg
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Description
ABCA1 inducer 1 is a non-lipid small molecule that upregulates ABCA1 expression, enhances APOE lipidation, and reverses Alzheimer's disease phenotypes in E3/4FAD mouse models. It serves as a valuable research tool for studying cholesterol efflux, APOE metabolism, and therapeutic strategies for AD in both in vivo and in vitro systems.
CAS Number
2839627-76-6
Field of Research
Metabolism Research
Smiles
O=C (OCC) C=1C=C (Cl) C=C (C1) NC (=O) C=2SC (Cl) =CC2S (=O) (=O) N (C3=CC=C (OCC) C (OC) =C3) C
Molecular Formula
C24H24Cl2N2O7S2
Molecular Weight
587.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ABCA1 inducer 1
CAS Number2839627-76-6
PubChem CID165130274
IUPAC Nameethyl 3-chloro-5-[[5-chloro-3-[(4-ethoxy-3-methoxyphenyl)-methylsulfamoyl]thiophene-2-carbonyl]amino]benzoate
Molecular FormulaC24H24Cl2N2O7S2
Molecular Weight587.5
XLogP5.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity891
SMILES
CCOC1=C(C=C(C=C1)N(C)S(=O)(=O)C2=C(SC(=C2)Cl)C(=O)NC3=CC(=CC(=C3)C(=O)OCC)Cl)OC
InChI
InChI=1S/C24H24Cl2N2O7S2/c1-5-34-18-8-7-17(12-19(18)33-4)28(3)37(31,32)20-13-21(26)36-22(20)23(29)27-16-10-14(9-15(25)11-16)24(30)35-6-2/h7-13H,5-6H2,1-4H3,(H,27,29)
InChIKey
CSWGQEHEYAADCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ABCA1 inducer 1
CAS: 2839627-76-6
CID: 165130274
Formula: C24H24Cl2N2O7S2
MW: 587.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.5
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass586.0401988
Monoisotopic Mass586.0401988
Topological Polar Surface Area148 Ų
Heavy Atom Count37
Formal Charge0
Complexity891
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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