P-CAB agent 2

CAT: 0804-HY-153219A-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-153219A-02Size:10 mg

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Description

P-CAB agent 2 is a potent and orally active potassium-competitive acid blocker and a gastric acid secretion inhibitor. P-CAB agent 2 inhibits H+/K+-ATPase activity with an IC50 value of IC50 value of 18.69 M. P-CAB agent 2 shows no acute toxicity and inhibits histamine -induced gastric acid secretion[1].

CAS Number

1978371-23-1

UNSPSC

12352005

Target

Potassium Channel

Type

Reference compound

Related Pathways

Membrane Transporter/Ion Channel

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Endocrinology

Assay Protocol

https://www.medchemexpress.com/p-cab-agent-2.html

Purity

98.0

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=S(C1=CC(OCCCOC)=CC=C1)(N2C=C(CNC)C=C2C3=C(F)C=CC=C3)=O

Molecular Formula

C22H25FN2O4S

Molecular Weight

432.51

References & Citations

[1]YinLin Qin, et al. Pyrrole sulfonyl derivative, and preparation method and medical use thereof. WO2016119505A1.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Keverprazan

CAS Number	1978371-23-1
PubChem CID	132164139
IUPAC Name	1-[5-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
Molecular Formula	C22H25FN2O4S
Molecular Weight	432.5
XLogP	3.2
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	615

SMILES

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=CC(=C3)OCCCOC

InChI

InChI=1S/C22H25FN2O4S/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3

InChIKey

UDHVRDAZIAGHFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1978371-23-1

CID: 132164139

Formula: C22H25FN2O4S

MW: 432.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	432.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	432.15190662
Monoisotopic Mass	432.15190662
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	615
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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