Dimaprit dihydrochloride - 10mM in DMSO , CAS No.23256-33-9

CAS: 23256-33-9 Cat. No.: D422753 Molecular Weight: 234.19 EC Number: 636-597-5 PubChem CID: 90045

GRADE & PURITY 10mM in DMSO

Synonyms

SR-01000597945-2 | Dimaprit dihydrochloride, >=98% (NMR) | 2-(3-Dimethylaminopropyl)-2-thiopseudourea dihydrochloride | S-(3-Dimethylaminopropyl)isothiourea . 2HCl | SCHEMBL7174665 | DTXSID90177831 | BCP27612 | TMTD (Tetramethyl-thiuram-disulfide) | (11E)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Dimaprit dihydrochloride is a selective histamine H2 receptor agonist. Dimaprit dihydrochloride also inhibits nNOS with an IC50 of 49 μM. It can stimulate gastric acid secretion.

Specifications

Synonyms

SR-01000597945-2 | Dimaprit dihydrochloride, >=98% (NMR) | 2-(3-Dimethylaminopropyl)-2-thiopseudourea dihydrochloride | S-(3-Dimethylaminopropyl)isothiourea . 2HCl | SCHEMBL7174665 | DTXSID90177831 | BCP27612 | TMTD (Tetramethyl-thiuram-disulfide) | (11E)

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Selective H 2 agonist. Some selectivity for H 3. Does not readily cross the blood-brain barrier. Systemically active following oral administration.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CN(C)CCCSC(=N)N.Cl.Cl
• IUPAC Name: 3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
• InChIKey: DFWCPLGXFMSUCW-UHFFFAOYSA-N
• INCHI: 1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
• Isomeric SMILES: CN(C)CCCSC(=N)N.Cl.Cl
• PubChem CID: 90045
• Molecular Weight: 234.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Isothioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Isothioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isothioureas
• Alternative Parents: Trialkylamines Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Imine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).
• 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)

HRH4 Tchem Histamine H4 receptor (0 Activities)

Discover Target: HRH4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 234.190 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 233.052 Da
• Monoisotopic Mass: 233.052 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 103.000
• 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: 3

XLogP3