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

CAS: 170105-16-5 Cat. No.: I413279 Formula: C₂₀H₂₁N₃O Peso molecolare: 319.4 Numero EC: 689-703-7

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Muscarinic acetylcholine receptor M3 antagonist

Purezza

≥98%

Proprietà del prodotto

ALogP

2.55

hba_count

2

Conteggio HBD

1

Legame rotabile

6

Nomi e identificatori

Pubchem Sid

488195772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195772

Sorrisi canonici

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)

Isomeri SMILES

CC1=NC=CN1CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 63 mg/mL (197.24 mM)
• Sensibilità: Light & Heat sensitive
• DMSO (mg/mL) Solubilità massima: 63
• DMSO (mM) Solubilità massima: 197.244685852459
• Acqua (mg/mL) Solubilità massima: -1
• Acqua (mM) Solubilità massima: -3.13086802940411
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 170105-16-5, the molecular formula is C20H21N3O, and the molecular weight is 319.4 g/mol. InChIKey SQKXYSGRELMAAU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.