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Clobenpropit

Clobenpropit structure

Clobenpropit 

structure
  • CAS No:

    145231-45-4

  • Formula:

    C14H17ClN4S

  • Chemical Name:

    Clobenpropit

  • Synonyms:

    Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-,3-(1H-imidazol-5-yl)propyl ester;Carbamimidothioic acid,[(4-chlorophenyl)methyl]-,3-(1H-imidazol-4-yl)propyl ester;VUF 9153;Clobenpropit

Description

ChEBI: An imidothiocarbamic ester that consists of isothiourea bearing S-3-(imidazol-4-yl)propyl and N-4-chlorobenzyl substituents. An extremely potent histamine H3 antagonist/inverse agonist (pA


Clobenpropit dihydrobromide is a hydrobromide salt obtained by reaction of clobenpropit with two equivalents of hydrobromic acid. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM. It has a role as a H4-receptor agonist and a H3-receptor antagonist. It contains a clobenpropit(2+).

Clobenpropit Basic Attributes

470.65

308.83

DTXSID0042610

Characteristics

89.86000

5.86030

white solid

1.31g/cm3

551.3ºC at 760mmHg

287.2ºC

1.645

H2O: >20 mg/mL

2-8°C

Safety Information

NONH for all modes of transport

3

Clobenpropit Use and Manufacturing

An extremely potent histamine H 3 antagonist/inverse agonist (pA 2 =9.93). Also displays partial agonist activity at H 4 receptors; induces eosinophil shape change with an EC 50 of 3 nM. Also available as part of the Histamine H 3 Receptor Tocriset™ .

Computed Properties

Molecular Weight:470.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:469.93652
Monoisotopic Mass:467.93857
Topological Polar Surface Area:92.4
Heavy Atom Count:22
Complexity:306
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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