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AChE/hCA I-IN-1

CAT: 0931-T204128-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204128-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
155140-19-5
Target
Cholinesterase (ChE), Carbonic Anhydrase
Related Pathways
Neuroscience, Metabolism
Bioactivity
AChE/hCA I-IN-1 (Compound L3) is an inhibitor of acetylcholinesterase (AChE) and carbonic anhydrase (CA), effectively inhibiting AChE, hCA I, and hCA II with IC50 values of 302 nM, 265 nM, and 283 nM, respectively.
Smiles
O=S([O-])(C1=CC=C(C=C1)N=CC2=CC(Br)=CC=C2O)=O.[Na+]
Molecular Formula
C13H9BrNNaO4S
Molecular Weight
378.174
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AChE/hCA I-IN-1
CAS Number155140-19-5
PubChem CID172677437
IUPAC Namesodium 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonate
Molecular FormulaC13H9BrNNaO4S
Molecular Weight378.18
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity446
SMILES
C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C13H10BrNO4S.Na/c14-10-1-6-13(16)9(7-10)8-15-11-2-4-12(5-3-11)20(17,18)19;/h1-8,16H,(H,17,18,19);/q;+1/p-1
InChIKey
RHVALZQSUPMQRB-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of AChE/hCA I-IN-1
CAS: 155140-19-5
CID: 172677437
Formula: C13H9BrNNaO4S
MW: 378.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.18
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass376.93334
Monoisotopic Mass376.93334
Topological Polar Surface Area98.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-170560AChE/hCA I-IN-1
HY-149012AChE/hCA I/II-IN-1
GTR19263593-01HCA-I/hCA-II-IN-1
HY-147985HCA I-IN-1
HY-175847HCA-I/hCA-II-IN-2
GTR19184636-01HCA I-IN-2
GTR19241115-01HCA I-IN-4
HY-158372HCA I-IN-3
GTR19264147-01HCA-IN-1
GTR19240471-01AChE/CA I-IN-1

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