PXS-5505 (anhydrous)

CAT: 0804-HY-138625A-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-138625A-01Size:5 mg

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Description

PXS-5505 anhydrous (LOX-IN-3 dihydrochloride) is an orally active lysyl oxidase (LOX) inhibitor. PXS-5505 anhydrous can be used for fibrosis, cancer and angiogenesis research[1].

CAS Number

2409964-23-2

Product Name Alternative

LOX-IN-3 (dihydrochloride)

UNSPSC

12352005

Target

Monoamine Oxidase

Type

Reference compound

Related Pathways

Neuronal Signaling

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/lox-in-3-dihydrochloride.html

Purity

99.90

Solubility

DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 80°C) |H2O : ≥ 100 mg/mL

Smiles

NC/C=C(F)/CS(=O)(C1=C2N=CC=CC2=CC=C1)=O.[H]Cl.[H]Cl

Molecular Formula

C13H15Cl2FN2O2S

Molecular Weight

353.24

References & Citations

[1]Alison Dorothy Findlay, et al. Haloallylamine sulfone derivative inhibitors of lysyl oxidases and uses thereof. WO2020024017A1.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

LOX-IN-3 dihydrochloride

CAS Number	2409964-23-2
PubChem CID	146317832
IUPAC Name	(Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine;dihydrochloride
Molecular Formula	C13H15Cl2FN2O2S
Molecular Weight	353.2
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	430

SMILES

C1=CC2=C(C(=C1)S(=O)(=O)C/C(=C/CN)/F)N=CC=C2.Cl.Cl

InChI

InChI=1S/C13H13FN2O2S.2ClH/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12;;/h1-6,8H,7,9,15H2;2*1H/b11-6-;;

InChIKey

YYYHSAUHJBNINZ-LEOXJOGCSA-N

Chemical Structure

2D Structure

CAS: 2409964-23-2

CID: 146317832

Formula: C13H15Cl2FN2O2S

MW: 353.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	353.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	352.0215324
Monoisotopic Mass	352.0215324
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-138625B	PXS-5505
HY-138625-01	PXS-5505 (free base)
HY-151499	PXS-6302
HY-112726-01	PXS-4728A
HY-114286	PXS-5153A
HY-151498	PXS-4787
HY-117833-01	PXS-4681A
HY-130242-01	PXS-5120A
HY-151498A-01	PXS-4787 (hydrochloride)
HY-114286A-01	PXS-5153A (monohydrochloride)

Alternative Products

Catalog	Name
JH912595	PXS-5505
2409964-23-2	PS-5505
M26400-01	PXS-5153A
BA8511-5	PXS-5120A
BA8499-10	PXS-4728A
DJC36468-01	PXS 4728A
T60438-01	PXS-6302
MBS5799524	PXS-4681A
GTR19188181-01	PXS-4787

PXS-5505 (anhydrous)

Chemical Information

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