COX-1/2-IN-1

CAT: 0931-T61196-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T61196-01Size:25 mg

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

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CAS Number

2358849-47-3

Target

Others, COX

Related Pathways

Immunology/Inflammation, Others, Neuroscience

Bioactivity

COX-1/2-IN-2, a potent inhibitor of both COX-1 and COX-2, demonstrates significant inhibitory activity, with IC50 values of 13.9 ± 3.21 μM for COX-1 and 6.4 ± 0.74 μM for COX-2, respectively [1].

Smiles

O=N=1C(=NC2=C(C1C)C=C(Br)C=C2)C3=CC=C(Cl)C=C3

Molecular Formula

C15H10BrClN2O

Molecular Weight

349.61

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cox-1/2-IN-1

CAS Number	2358849-47-3
PubChem CID	162344911
IUPAC Name	6-bromo-2-(4-chlorophenyl)-4-methyl-3-oxidoquinazolin-3-ium
Molecular Formula	C15H10BrClN2O
Molecular Weight	349.61
XLogP	3.9
Topological Polar Surface Area	38.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	338

SMILES

CC1=C2C=C(C=CC2=NC(=[N+]1[O-])C3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C15H10BrClN2O/c1-9-13-8-11(16)4-7-14(13)18-15(19(9)20)10-2-5-12(17)6-3-10/h2-8H,1H3

InChIKey

RHVOYKDHVFHENK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2358849-47-3

CID: 162344911

Formula: C15H10BrClN2O

MW: 349.61

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	349.61
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	347.96650
Monoisotopic Mass	347.96650
Topological Polar Surface Area	38.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	338
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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T209627-01	INOS/COX-2-IN-1
T209071-01	COX-2/NLRP3-IN-1
T205462-01	EGFR/COX-2-IN-1
T62103-01	COX-2/PI3K-IN-1
T79592-01	COX-1/2-IN-4
T209169-01	COX-2/LOX-IN-1

Alternative Products

Catalog	Name
GTR19187365-01	COX-1/2-IN-1
HY-159561	COX-1-IN-2
HY-U00275	COX-2-IN-1
MBS5803131	COX-2/NO-IN-1
HY-115967	COX-1/2-IN-2
HY-146704	COX-2/sEH-IN-1
HY-170932	EGFR/COX-2-IN-1
GTR19186514-01	COX-2/PI3K-IN-1
GTR19235602-01	COX-1/2-IN-6
GTR19230416-01	COX-1/2-IN-5

COX-1/2-IN-1

Chemical Information

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