Clobenpropit dihydrobromide - ≥99% , CAS No.145231-35-2

CAS: 145231-35-2 Cat. No.: C275050 Molecular Weight: 470.65 PubChem CID: 11213569

GRADE & PURITY ≥99%

Synonyms

Clobenpropit dihydrobromide, solid | Clobenpropit Dihydrobromide, VUF 9153 | J-008075 | FT-0738359 | HSCI1_000063 | N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide | BCP33039 | STK720179 | AKOS037647806

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Clobenpropit dihydrobromide is a potent histamine H3R antagonist/inverse agonist with a pEC50 of 8.07 for histamine H3LR. Clobenpropit dihydrobromide acts as partial agonist at histamine H4 receptors (Ki 13 nM). Clobenpropit dihydrobromide also binds to serotonin 5-HT3 receptors (Ki 7.4 nM) and α2A/α2C adrenoceptors (Ki 17.4/7.8 nM). Clobenpropit dihydrobromide increases apoptosis.

Specifications

Synonyms

Clobenpropit dihydrobromide, solid | Clobenpropit Dihydrobromide, VUF 9153 | J-008075 | FT-0738359 | HSCI1_000063 | N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide | BCP33039 | STK720179 | AKOS037647806

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Selective and competitive H 3 antagonist (pK i = 8.5). Partial agonist at H 4 receptor (EC 50 = 3 nM) Blood-brain barrier permeable.

Source

Synthetic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

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.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766166
• Canonical Smiles: C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br
• IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate;dihydrobromide
• InChIKey: JIJQPEZAVLJZBO-UHFFFAOYSA-N
• INCHI: 1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H
• Isomeric SMILES: C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br
• PubChem CID: 11213569
• Molecular Weight: 470.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Imidazoles Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• External Descriptors: hydrobromide

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

Chemical and Physical Properties

• Solubility: 30 mg/ml in DMSO, 2.5 mg/ml in Ethanol, 20 mg/ml in water
• Sensitivity: Heat Sensitive
• Melt Point(°C): 205 °C
• Molecular Weight: 470.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 469.937 Da
• Monoisotopic Mass: 467.939 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• 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

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