LOX-IN-3 , CAS No.2409963-83-1

CAS: 2409963-83-1 Cat. No.: L648579 Formula: C₁₃H₁₃FN₂O₂S Peso molecolare: 280.32 PubChem CID: 146317833

Synonyms

2-Buten-1-amine, 3-fluoro-4-(8-quinolinylsulfonyl)-, (2Z)- | GLXC-25899 | (Z)-3-fluoro-4-(quinolin-8-ylsulfonyl)but-2-en-1-amine | EX-A4912 | AKOS040756172 | 2409963-83-1 | (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine | HY-138625 | PXS-5505 | UNII

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

LOX-IN-3 is an orally active lysyl oxidase (LOX) inhibitor. LOX-IN-3 can be used for fibrosis, cancer and angiogenesis research

In Vitro

LOX-IN-3 dihydrochloride monohydrate (Compound 33) inhibits the bovine LOX and human LOXL2 activities with IC 50 values of <10 μM and <1 μM, respectively. LOX-IN-3 dihydrochloride monohydrate exhibits sustained inhibition of LOXL1 and LOXL2. LOX-IN-3 dihydrochloride monohydrate is less active against SSAO/VAP-1 and MAO-B activities. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

LOX-IN-3 dihydrochloride monohydrate (Compound 33) (30 mg/kg; orally; once) inhibits lysyl oxidase activity in rats . LOX-IN-3 dihydrochloride monohydrate (10 mg/kg; orally; daily for 14 days) reduces kidney fibrosis in unilateral ureteric obstruction (UUO) mice model . LOX-IN-3 dihydrochloride monohydrate (15 mg/kg; orally; daily for 21 days) reduces lung fibrosis in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Wistar rats Dosage: 30 mg/kg Administration: Oral administration, single dose Result: Completely abolished lysyl oxidase activity. Plasma concentrations of tested compound are far below the IC 50 after 8 hours, the half-life of recovery is between 2-3 days (ear) and 24 hours (aorta). Animal Model: Unilateral ureteric obstruction (UUO) model of acute kidney fibrosis in mice Dosage: 10 mg/kg Administration: Oral gavage, daily for 14 days Result: Increased kidney weight and thickness and reduced the area of fibrosis. Animal Model: C57Bl/6 mice, Bleomycin-induced lung fibrosis model Dosage: 15 mg/kg Administration: Oral gavage, daily for 21 days Result: Significantly reduced the Ashcroft score and the lung weight.

Form:Solid

IC50& Target:IC 50 : <1 μM (human LOXL2), <10 μM (bovine LOX)

Specifications

Sinonimi

2-Buten-1-amine, 3-fluoro-4-(8-quinolinylsulfonyl)-, (2Z)- | GLXC-25899 | (Z)-3-fluoro-4-(quinolin-8-ylsulfonyl)but-2-en-1-amine | EX-A4912 | AKOS040756172 | 2409963-83-1 | (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine | HY-138625 | PXS-5505 | UNII

Meccanismi biochimici e fisiologici

LOX-IN-3 is an orally active lysyl oxidase (LOX) inhibitor. LOX-IN-3 can be used for fibrosis, cancer and angiogenesis research.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

Sorrisi canonici

C1=CC2=C(C(=C1)S(=O)(=O)CC(=CCN)F)N=CC=C2

IUPAC Name

(Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine

InChIKey

DHXXLGDTPFPYRH-WDZFZDKYSA-N

INCHI

1S/C13H13FN2O2S/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/b11-6-

Isomeri SMILES

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

CAS alternativo

2409963-83-1

PubChem CID

146317833

Peso molecolare

280.32

Proprietà chimiche e fisiche

• Solubilità: DMSO : 125 mg/mL (445.92 mM; Need ultrasonic)
• Peso molecolare: 280.320 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 280.068 Da
• Monoisotopic Mass: 280.068 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 430.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2409963-83-1, the molecular formula is C13H13FN2O2S, and the molecular weight is 280.32 g/mol. InChIKey DHXXLGDTPFPYRH-WDZFZDKYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.