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PXS-4787 hydrochloride

CAT: 0013-GTR19239735-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239735-01Size:25 mg
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Description
PXS-4787 hydrochloride is a potent pan-lysyl oxidase (LOX/LOXL) inhibitor with IC50 values ranging from 0.2 to 3.2 μM across enzyme isoforms. It reduces collagen I cross-linking in human fibroblast models, supporting its use in researching fibrosis, cancer metastasis, and fibrotic disease mechanisms in vitro.
CAS Number
2409964-40-3
Field of Research
Neuroscience
Smiles
S (C/C (=C/CN) /F) (=O) (=O) C1=CC=CC=C1.Cl
Molecular Formula
C10H13ClFNO2S
Molecular Weight
265.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PXS-4787 (hydrochloride)
CAS Number2409964-40-3
PubChem CID68770906
IUPAC Name(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine;hydrochloride
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.73
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity313
SMILES
C1=CC=C(C=C1)S(=O)(=O)C/C(=C/CN)/F.Cl
InChI
InChI=1S/C10H12FNO2S.ClH/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10;/h1-6H,7-8,12H2;1H/b9-6-;
InChIKey
GTHSNTGBWPOOQA-BORNJIKYSA-N
Chemical Structure
2D Structure
2D structure of PXS-4787 (hydrochloride)
CAS: 2409964-40-3
CID: 68770906
Formula: C10H13ClFNO2S
MW: 265.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass265.0339557
Monoisotopic Mass265.0339557
Topological Polar Surface Area68.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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HY-151498A-01PXS-4787 (hydrochloride)
T201314-01PXS-4787 hydrochloride
BUP09007-01PXS-6302 hydrochloride
HY-151499A-01PXS-6302 (hydrochloride)
B8915Bufuralol, Hydrochloride (a-[[ (1,1-Dimethylethyl) -amino]methyl]-7-ethyl-2-benzofuranmethanol, Ro-3-4787, Angium)
MBS6032383-01Bufuralol, Hydrochloride (a-[[(1,1-Dimethylethyl)-amino]methyl]-7-ethyl-2-benzofuranmethanol, Ro-3-4787, Angium)
B8915-01Bufuralol-d9 Hydrochloride (a-[[ (1,1-Dimethylethyl) -amino]methyl]-7-ethyl-2-benzofuranmethanol-d9, Ro-3-4787-d9, Angium-d9)
MBS6080724-01Bufuralol-d9 Hydrochloride (a-[[(1,1-Dimethylethyl)-amino]methyl]-7-ethyl-2-benzofuranmethanol-d9, Ro-3-4787-d9, Angium-d9)
HY-151498PXS-4787
M26400-01PXS-5153A

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