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Darifenacin (hydrobromide)

CAT: 0804-HY-A0012-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0012-01Size:5 mg
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Description
Darifenacin (UK-88525) hydrobromide is a selective and orally active M3 muscarinic receptor (M3R) antagonist with a pKi of 8.9. Darifenacin hydrobromide binds >20-fold more specifically to M3R than to other muscarinic receptors. Darifenacin hydrobromide can be used in the study of urinary incontinence and other symptoms of overactive bladder. Darifenacin hydrobromide inhibits tumor growth in colorectal cancer cells and has anti-tumor effects[1][2][3][4][5][6].
CAS Number
133099-07-7
Product Name Alternative
UK-88525 (hydrobromide)
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Akt; mAChR; p38 MAPK
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway; Neuronal Signaling; PI3K/Akt/mTOR
Applications
Cancer-programmed cell death
Field of Research
Cancer; Metabolic Disease; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Darifenacin-hydrobromide.html
Purity
99.97
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
O=C(C(C1=CC=CC=C1)([C@@H]2CCN(CCC3=CC4=C(OCC4)C=C3)C2)C5=CC=CC=C5)N.Br
Molecular Formula
C28H31BrN2O2
Molecular Weight
507.46
Precautions
H315, H319, H335
References & Citations
+
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
ERK1; ERK2; mAChR3; MMP-1
Citation 01
ACS Omega. 2020 Oct 12;5 (41) :26551-26561.|Eur J Pharmacol. 2011 Aug 1;663 (1-3) :74-9. |J Transl Med. 2025 Jan 23;23 (1) :112.|Br J Pharmacol. 2015 Dec;172 (23) :5619-33. |Oncotarget. 2016 Apr 5;7 (14) :18085-94. |Sci Rep. 2017 Jan 19;7:40802.

Chemical Information

Darifenacin Hydrobromide

Darifenacin hydrobromide is the hydrobromide salt of darifenacin. A selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, it is used in the management of urinary incontinence. It has a role as a muscarinic antagonist. It contains a darifenacin.

CAS Number133099-07-7
PubChem CID444030
IUPAC Name2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide
Molecular FormulaC28H31BrN2O2
Molecular Weight507.5
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity607
SMILES
C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
InChI
InChI=1S/C28H30N2O2.BrH/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26;/h1-12,19,25H,13-18,20H2,(H2,29,31);1H/t25-;/m1./s1
InChIKey
UQAVIASOPREUIT-VQIWEWKSSA-N
Chemical Structure
2D Structure
2D structure of Darifenacin Hydrobromide
CAS: 133099-07-7
CID: 444030
Formula: C28H31BrN2O2
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass506.15689
Monoisotopic Mass506.15689
Topological Polar Surface Area55.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity607
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-204708Darifenacin Hydrobromide
TRC-D193405-250MG(R)-Darifenacin Hydrobromide
CS-O-00698Darifenacin-d4 Hydrobromide
ESS0514-01(R) -Darifenacin Hydrobromide
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MBS6093499-01Darifenacin Hydrobromide ((3S)-1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl]-a-a-diphenyl-3-pyrrolidineacetamide Hydrobromide;Enablex; Emselex)
D1074-75-01Darifenacin Hydrobromide ((3S) -1-[2- (2,3-Dihydro-5-benzofuranyl) ethyl]-a-a-diphenyl-3-pyrrolidineacetamide Hydrobromide; Enablex; Emselex)

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