Imidafenacin - ≥98% , Muscarinic acetylcholine receptor M3 antagonist, CAS No.170105-16-5, Muscarinic acetylcholine receptor M3 antagonist

CAS: 170105-16-5 Cat. No.: I413279 Molecular Weight: 319.4 EC Number: 689-703-7

GRADE & PURITY ≥98%

Synonyms

IMIDAFENACIN [MI] | MFCD09833703 | A, | Imidafenacin (JAN/INN) | HY-B0662 | Caswell No. 861AA | ONO-8025 | AKOS030526649 | DB09262 | FT-0670290 | Imidafenacin | AS-47648 | D06273 | NCGC00183110-02 | Uritos (TN) | HMS3886C04 | Staybla | XJR8Y07LJO | 4-(2-m

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Imidafenacin (KRP-197, ONO-8025) is a urinary antispasmodic of the anticholinergic class. It is a novel antimuscarinic agent with safety and efficacy, has been clinically used for the treatment of overactive bladder. Imidafenacin(KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors with Kb of 0.317 nM; less potent for M2 receptors(IC50=4.13 nM). IC50 value: 0.3 nM(M3).

Targets

M3 receptor (Cell-free assay); M3 receptor (Cell-free assay); M2 receptor (Cell-free assay) 0.3 nM; 0.317 nM(Kd); 4.13 nM

Specifications

Synonyms

IMIDAFENACIN [MI] | MFCD09833703 | A, | Imidafenacin (JAN/INN) | HY-B0662 | Caswell No. 861AA | ONO-8025 | AKOS030526649 | DB09262 | FT-0670290 | Imidafenacin | AS-47648 | D06273 | NCGC00183110-02 | Uritos (TN) | HMS3886C04 | Staybla | XJR8Y07LJO | 4-(2-m

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Imidafenacin (KRP-197, ONO-8025) is a urinary antispasmodic of the anticholinergic class. It is a novel antimuscarinic agent with safety and efficacy, has been clinically used for the treatment of overactive bladder. Imidafenacin(KRP-197; ONO-8025) is a p

Storage

Protected from light, 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

Purity

≥98%

Product Properties

• ALogP: 2.55
• hba_count: 2
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 488195772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195772
• Canonical Smiles: CC1=NC=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
• IUPAC Name: 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide
• InChIKey: SQKXYSGRELMAAU-UHFFFAOYSA-N
• INCHI: 1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)
• Isomeric SMILES: CC1=NC=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N
• Molecular Weight: 319.4
• Reaxy-Rn: 8041839
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8041839&ln=

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 N-substituted imidazoles Fatty amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylacetamide - Fatty amide - N-substituted imidazole - Fatty acyl - Azole - Imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic 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: Not available

Data sources

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)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

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

Homo sapiens (32628 Activities)

Explore this target

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

CHRM3 Tclin Muscarinic acetylcholine receptors; M2 & M3 (708 Activities)

Discover Target: CHRM3

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

CHRM3 Tclin Muscarinic acetylcholine receptor M1 and M3 (256 Activities)

Discover Target: CHRM3

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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 63 mg/mL (197.24 mM)
• Sensitivity: Light & Heat sensitive
• DMSO(mg / mL) Max Solubility: 63
• DMSO(mM) Max Solubility: 197.244685852459
• Water(mg / mL) Max Solubility: -1
• Water(mM) Max Solubility: -3.13086802940411
• Molecular Weight: 319.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 319.168 Da
• Monoisotopic Mass: 319.168 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 395.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1