OXA-06 (hydrochloride)

CAT: 0804-HY-110335-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-110335-01Size:5 mg

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Description

OXA-06 hydrochloride is an ATP-competitive ROCK inhibitor that blocks anchorage-dependent growth and invasion of non-small cell lung cancer cell lines. OXA-06 hydrochloride inhibits cofilin phosphorylation but does not stimulate apoptosis[1].

CAS Number

1825455-91-1

UNSPSC

12352005

Target

ROCK

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage; Cytoskeleton; Stem Cell/Wnt; TGF-beta/Smad

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/oxa-06-hydrochloride.html

Purity

99.89

Solubility

DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

FC1=CC=CC=C1CNCC2=CC=C(C3=C4C(NC=C4)=NC=C3)C=C2.Cl.Cl

Molecular Formula

C21H20Cl2FN3

Molecular Weight

404.31

References & Citations

[1]Vigil D, et al. ROCK1 and ROCK2 are required for non-small cell lung cancer anchorage-independent growth and invasion. Cancer Res. 2012 Oct 15;72 (20) :5338-47.

Shipping Conditions

Room Temperature

Storage Conditions

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

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

OXA 06 dihydrochloride

CAS Number	1825455-91-1
PubChem CID	91691120
IUPAC Name	N-[(2-fluorophenyl)methyl]-1-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine;dihydrochloride
Molecular Formula	C21H20Cl2FN3
Molecular Weight	404.3
Topological Polar Surface Area	40.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	410

SMILES

C1=CC=C(C(=C1)CNCC2=CC=C(C=C2)C3=C4C=CNC4=NC=C3)F.Cl.Cl

InChI

InChI=1S/C21H18FN3.2ClH/c22-20-4-2-1-3-17(20)14-23-13-15-5-7-16(8-6-15)18-9-11-24-21-19(18)10-12-25-21;;/h1-12,23H,13-14H2,(H,24,25);2*1H

InChIKey

ZRBCUSMZOWMVJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1825455-91-1

CID: 91691120

Formula: C21H20Cl2FN3

MW: 404.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	404.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	403.1018312
Monoisotopic Mass	403.1018312
Topological Polar Surface Area	40.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19232591-01	OXA-06 hydrochloride
A24487-100	OXA-06 hydrochloride 100mg
A24487-50	OXA-06 hydrochloride 50mg
A24487-10	OXA-06 hydrochloride 10mg
A24487-5	OXA-06 hydrochloride 5mg
T12718-01	RG7800 hydrochloride (1449598-06-4 free base)
KHD04523-01	5-Oxa-2-azaspiro[3.6]decane hydrochloride
GDD37088-01	2-Oxa-9-azaspiro[5.5]undecane hydrochloride
VPC56918-01	7-oxa-1-azaspiro[4.4]nonane hydrochloride
FDD52423-01	7-Oxa-1-azaspiro[3.5]nonane hydrochloride

OXA-06 (hydrochloride)

Chemical Information

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