AGN-201904

CAT: 0804-HY-123754-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-123754-01Size:1 mg

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Description

AGN-201904 is a proton pump inhibitor. AGN-201904 is an omeprazole prodrug that can delay aging and can be used to prevent and treat peptic ulcers[1].

CAS Number

651729-53-2

UNSPSC

12352005

Target

Proton Pump

Type

Reference compound

Related Pathways

Membrane Transporter/Ion Channel

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/agn-201904.html

Solubility

10 mM in DMSO

Smiles

O=C(COC1=CC=C(C=C1)S(=O)(N2C3=CC=C(C=C3N=C2S(CC4=NC=C(C(OC)=C4C)C)=O)OC)=O)O

Molecular Formula

C25H25N3O8S2

Molecular Weight

559.61

References & Citations

[1]Hunt RH, et al. Predictable prolonged suppression of gastric acidity with a novel proton pump inhibitor, AGN 201904-Z. Aliment Pharmacol Ther. 2008 Jul;28 (2) :187-99

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Agn-201904

Agn 201904 has been used in trials studying the prevention of Peptic Ulcer.

CAS Number	651729-53-2
PubChem CID	9829253
IUPAC Name	2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]acetic acid
Molecular Formula	C25H25N3O8S2
Molecular Weight	559.6
XLogP	2.9
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	38
Formal Charge	0
Complexity	939

SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)OCC(=O)O)C=CC(=C3)OC

InChI

InChI=1S/C25H25N3O8S2/c1-15-12-26-21(16(2)24(15)35-4)14-37(31)25-27-20-11-18(34-3)7-10-22(20)28(25)38(32,33)19-8-5-17(6-9-19)36-13-23(29)30/h5-12H,13-14H2,1-4H3,(H,29,30)

InChIKey

PPCGSVWOZKNPCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 651729-53-2

CID: 9829253

Formula: C25H25N3O8S2

MW: 559.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	559.6
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Exact Mass	559.10830711
Monoisotopic Mass	559.10830711
Topological Polar Surface Area	175 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	939
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AGN-201904

Chemical Information

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