COX-1/2-IN-6

CAT: 0931-T86079-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T86079-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

327024-84-0

Target

COX

Related Pathways

Immunology/Inflammation, Neuroscience

Bioactivity

COX-1/2-IN-6 (compound 4 h) acts as a dual inhibitor of COX-1 and COX-2, exhibiting potent inhibitory activity with IC50 values of 68 nM and 91 nM, respectively. It is utilized in the research of inflammatory diseases [1].

Smiles

C(C(O)=O)N1C(=CC(C(OCC)=O)=C1C)C2=CC=C(C=C2)C3=CC=CC=C3

Molecular Formula

C22H21NO4

Molecular Weight

363.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cox-1/2-IN-6

CAS Number	327024-84-0
PubChem CID	15427539
IUPAC Name	2-[3-ethoxycarbonyl-2-methyl-5-(4-phenylphenyl)pyrrol-1-yl]acetic acid
Molecular Formula	C22H21NO4
Molecular Weight	363.4
XLogP	4.3
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	508

SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O)C

InChI

InChI=1S/C22H21NO4/c1-3-27-22(26)19-13-20(23(15(19)2)14-21(24)25)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,24,25)

InChIKey

ABLKJPNBORNQOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 327024-84-0

CID: 15427539

Formula: C22H21NO4

MW: 363.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	363.14705815
Monoisotopic Mass	363.14705815
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	508
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	1
Compound Is Canonicalized	Yes

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T62061-01	COX-2-IN-6
T200220-01	COX-1-IN-2
T60403-01	COX-2/NO-IN-1
T10033-01	COX-2-IN-1
T203339-01	COX-2/15-LOX-IN-6
T61865-01	COX-1/2-IN-2
T61196-01	COX-1/2-IN-1
T89150-01	COX-1/2-IN-8
T60992-01	COX-1/2-IN-3
T209169-01	COX-2/LOX-IN-1

Alternative Products

Catalog	Name
HY-162044	COX-1/2-IN-6
BUP04229-01	COX-2-IN-6
MBS3614669-01	COX-2-IN-1
HY-159561	COX-1-IN-2
MBS5803131	COX-2/NO-IN-1
HY-168340	COX-2/15-LOX-IN-6
GTR19274829-01	COX-2/5-LOX-IN-6
MBS5804560	COX-1/2-IN-2
HY-115966	COX-1/2-IN-1

COX-1/2-IN-6

Chemical Information

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