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Darifenacin HBr - ≥98%, high purity , Muscarinic acetylcholine receptor M3 antagonist, CAS No.133099-07-7, Muscarinic acetylcholine receptor M3 antagonist

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 133099-07-7
Molecular Weight: 507.46
PubChem CID: 444030
PubChem SID: 504758822

In stock

Item Number

D129992

Grouped product items
SKU	Size	Availability	Price
D129992-10mg	10mg	2	$28.90
D129992-50mg	50mg	2	$48.90
D129992-250mg	250mg	3	$220.90
D129992-1g	1g	2	$793.90
D129992-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,572.90

Potent and selective M 3 antagonist

View related series

Class A GPCR (4138) GPCR/G Protein (3172) mAChR (182) Neuronal Signaling (3320)

Basic Description

Synonyms	UK 88525-04 \| 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide \| Darifenacin hydrobromide [USAN] \| Darifenacinhydrobromide \| KOM \| DARIFENACIN HYDROBROMIDE [MI] \| Darilong \| Tox21_112636 \| Z1546616192 \|
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Darifenacin hydrobromide is an antispasmodic muscarinic antagonist, selective for blocking the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions. Darifenacin hydrobromide has 9 and 12-fold greater affinit
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	ANTAGONIST
Mechanism of action	Muscarinic acetylcholine receptor M3 antagonist
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Darifenacin is a selective M3 muscarinic receptor antagonist with pKi of 8.9. An M3 muscarinic acetylcholine receptor blocker.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Phenylacetamides Phenethylamines Coumarans Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Diphenylmethane - Phenylacetamide - Phenethylamine - Coumaran - Alkyl aryl ether - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Hydrobromide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors	hydrobromide
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HepG2 (196354 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504758822
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758822
IUPAC Name	2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrobromide
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
Smiles	C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
Isomeric SMILES	C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
WGK Germany	3
Molecular Weight	507.46
Reaxy-Rn	9029066
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9029066&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
B2308762	Certificate of Analysis	Nov 18, 2024	D129992
B2308803	Certificate of Analysis	Nov 18, 2024	D129992
B2308901	Certificate of Analysis	Nov 18, 2024	D129992
B2308800	Certificate of Analysis	Nov 18, 2024	D129992
B2308802	Certificate of Analysis	Nov 18, 2024	D129992
B2308836	Certificate of Analysis	Nov 07, 2024	D129992
B2308834	Certificate of Analysis	Nov 07, 2024	D129992
F1510032	Certificate of Analysis	Jan 16, 2023	D129992

Chemical and Physical Properties

Solubility	Soluble in water (<1 mg/ml at 25 °C), chloroform, DMSO (117 mg/ml at 25 °C), methanol, and ethanol (<1 mg/ml at 25 °C).
Sensitivity	Moisture sensitive
Melt Point(°C)	228-230°C
Molecular Weight	507.500 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	506.157 Da
Monoisotopic Mass	506.157 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	607.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Han Yixiu, Li Peipei, Du Yingxiang. (2023) Encapsulating functionalized graphene quantum dot into metal-organic framework as a ratiometric fluorescent nanoprobe for doxycycline sensing. MICROCHIMICA ACTA, 190 (6): (1-9).

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