Mepenzolate (bromide)

CAT: 0804-HY-17585-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-17585-02Size:10 mM - 1 mL

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Description

Mepenzolate bromide is an orally administered muscarinic receptor antagonist with Kis of 0.68 and 2.6 nM for hM2R and hM3R, respectively. Mepenzolate bromide can be used to suppress the gastrointestinal hypermotility associated with irritable bowel syndrome[1].Mepenzolate bromide is a GPR109A inhibitor[2].

CAS Number

76-90-4

UNSPSC

12352005

Hazard Statement

H302, H312, H332

Target

GPR109A; mAChR

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Field of Research

Inflammation/Immunology; Others

Assay Protocol

https://www.medchemexpress.com/Mepenzolate-Bromide.html

Concentration

10mM

Purity

99.90

Solubility

DMSO : 250 mg/mL (ultrasonic) |H2O : 10 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

C[N+]1(C)CC(OC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)=O)CCC1.[Br-]

Molecular Formula

C21H26BrNO3

Molecular Weight

420.34

Precautions

H302, H312, H332

References & Citations

[1]Yasunobu Yamashita, et al.Synthesis and biological comparison of enantiomers of mepenzolate bromide, a muscarinic receptor antagonist with bronchodilatory and anti-inflammatory activities. Bioorg Med Chem. 2014 Jul 1;22 (13) :3488-97.|[2]Hesham Aly Salem, et al. Effect of Niacin on Inflammation and Angiogenesis in a Murine Model of Ulcerative Colitis. Sci Rep. 2017 Aug 2;7 (1) :7139.|[3]Ken-Ichiro Tanaka, et al. Mepenzolate bromide displays beneficial effects in a mouse model of chronic obstructive pulmonary disease. Nat Commun. 2013;4:2686.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Mepenzolate Bromide

Mepenzolate bromide is a diarylmethane.

CAS Number	76-90-4
PubChem CID	6461
IUPAC Name	(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Molecular Formula	C21H26BrNO3
Molecular Weight	420.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	432

SMILES

C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]

InChI

InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1

InChIKey

JRRNZNSGDSFFIR-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 76-90-4

CID: 6461

Formula: C21H26BrNO3

MW: 420.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	419.10961
Monoisotopic Mass	419.10961
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	432
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	2
Compound Is Canonicalized	Yes

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Mepenzolate (bromide)

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