Isopropamide Iodide - ≥95%(HPLC)(T) , Muscarinic acetylcholine receptor M1 antagonist, CAS No.71-81-8, Muscarinic acetylcholine receptor M1 antagonist

CAS: 71-81-8 Cat. No.: I304474 Molecular Weight: 480.43 EC Number: 200-766-8

GRADE & PURITY ≥95%(HPLC)(T)

Synonyms

HMS1920H11 | 4-Amino-N,N-diisopropyl-N-methyl-4-oxo-3,3-diphenylbutan-1-aminium iodide | NSC 15521 | Opera_ID_466 | isopropamide (cation) | ISOPROPAMIDE IODIDE [WHO-DD] | CCG-40128 | Ioduro de isopropamida | Isopropamide ioduro | SR-01000759196-2 | T72872

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Product Describtion:

Isopropamide iodide is a long-acting quaternary anticholinergic agent. Isopropamide iodide is used in peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.

Specifications

Synonyms

HMS1920H11 | 4-Amino-N, N-diisopropyl-N-methyl-4-oxo-3, 3-diphenylbutan-1-aminium iodide | NSC 15521 | Opera_ID_466 | isopropamide (cation) | ISOPROPAMIDE IODIDE [WHO-DD] | CCG-40128 | Ioduro de isopropamida | Isopropamide ioduro | SR-01000759196-2 | T72872

Specifications & Purity

≥95%(HPLC)(T)

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Muscarinic acetylcholine receptor M1 antagonist

Purity

≥95%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488180039
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180039
• Canonical Smiles: CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-]
• IUPAC Name: (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium;iodide
• InChIKey: BFSMWENDZZIWPW-UHFFFAOYSA-N
• INCHI: 1S/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H
• Isomeric SMILES: CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C.[I-]
• Alternate CAS: 7492-32-2
• Molecular Weight: 480.43

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 Aralkylamines Fatty amides Tetraalkylammonium salts Primary carboxylic acid amides Organopnictogen compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylacetamide - Aralkylamine - Fatty amide - Fatty acyl - Quaternary ammonium salt - Tetraalkylammonium salt - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organic salt - Organic zwitterion - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic iodide salt - Hydrocarbon derivative - Aromatic homomonocyclic 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)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

CTDSP1 Tchem Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (1031 Activities)

Discover Target: CTDSP1

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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

ddn Putative uncharacterized protein (49 Activities)

Discover Target: ddn

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically insoluble; Very soluble in Chloroform,Methanol,Alcohol; Soluble in Methanol; Very slightly soluble in Benzene,Ether
• Sensitivity: moisture sensitive
• Melt Point(°C): 201°C(dec.)(lit.)
• Molecular Weight: 480.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 480.164 Da
• Monoisotopic Mass: 480.164 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 419.000
• 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: 2

XLogP3

References

1. Bing Zheng, Yan Li, Furong Tao, Yuezhi Cui, Tianduo Li.  (2016)  Enhanced superquenching of the hyperbranched conjugated polymer for the detection of nitroaromatic explosives.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2016.10.057]