MK-0873

CAT: 0931-T33422-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T33422-01Size:1 mg

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

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CAS Number

500355-52-2

Target

PDE

Related Pathways

Metabolism

Purity

0.9929

Bioactivity

MK-0873 is a novel and potent selective phosphodiesterase 4 (PDE4) inhibitor.

Smiles

C(NC1CC1)(=O)C2=CN(C=3C(C2=O)=CC=CN3)C4=CC(C#CC5=CN(=O)=CC=C5)=CC=C4

Molecular Formula

C25H18N4O3

Molecular Weight

422.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mk-0873

MK-0873 has been used in trials studying the treatment of Rheumatoid Arthritis.

CAS Number	500355-52-2
PubChem CID	9919680
IUPAC Name	N-cyclopropyl-1-[3-[2-(1-oxidopyridin-1-ium-3-yl)ethynyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
Molecular Formula	C25H18N4O3
Molecular Weight	422.4
XLogP	2.5
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	839

SMILES

C1CC1NC(=O)C2=CN(C3=C(C2=O)C=CC=N3)C4=CC=CC(=C4)C#CC5=C[N+](=CC=C5)[O-]

InChI

InChI=1S/C25H18N4O3/c30-23-21-7-2-12-26-24(21)29(16-22(23)25(31)27-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-3-13-28(32)15-18/h1-7,12-16,19H,10-11H2,(H,27,31)

InChIKey

JJWKQXNHYDJXKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 500355-52-2

CID: 9919680

Formula: C25H18N4O3

MW: 422.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	422.13789045
Monoisotopic Mass	422.13789045
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	839
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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MBS5782968	MK-0873
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BA5198-1	MK-5046
A3618-5.1	MK-5172

MK-0873

Chemical Information

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