2-(2-Aminoethyl)isothiourea dihydrobromide - CAS 56-10-0
Catalog: |
BB029253 |
Product Name: |
2-(2-Aminoethyl)isothiourea dihydrobromide |
CAS: |
56-10-0 |
Synonyms: |
Carbamimidothioic acid, 2-aminoethyl ester, hydrobromide (1:2); Carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide; Pseudourea, 2-(2-aminoethyl)-2-thio-, dihydrobromide; 2-(2-Aminoethyl)-2-thiopseudourea dihydrobromide; 2-(2-Aminoethyl)-2-thiopseudourea hydrobromide; 2-(β-Aminoethyl)isothiuronium bromide hydrobromide; AET; Antiradon; Ixecur; NSC 22877; S-(2-Aminoethyl)isothiuronium bromide hydrobromide; S-(β-Aminoethyl)isothiuronium bromide hydrobromide; Surrectan; S-(2-aminoethyl) Isothiourea dihydrobromide |
Application: |
Radiation-Protective Agents |
Related CAS: | 151-16-6 (free base) 927-71-9 (Deleted CAS)
|
IUPAC Name: | 2-aminoethyl carbamimidothioate;dihydrobromide |
Description: | 2-(2-Aminoethyl)isothiourea dihydrobromide is a pan-inhibitor of all NOS isoforms with Kis of 1.8, 2.1, and 0.59 µM for human nNOS, eNOS, and iNOS, respectively. |
Molecular Weight: | 281.01 |
Molecular Formula: | C3H11Br2N3S |
Canonical SMILES: | C(CSC(=N)N)N.Br.Br |
InChI: | InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H |
InChI Key: | XDVMCVGTDUKDHL-UHFFFAOYSA-N |
Melting Point: | 181-182°C |
Purity: | 95% |
Density: | 1.94 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Crystalline solid |
Storage: | Store at RT |
LogP: | 2.98830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21118267 | 20110501 | Anti-T haemolysins: the effects of sialic acid removal and 2-aminoethylisothiouronium bromide treatment of erythrocytes on immune lysis | Vox sanguinis |
19763898 | 20101001 | Kinetic evaluation of aminoethylisothiourea on mushroom tyrosinase activity | Applied biochemistry and biotechnology |
19734910 | 20091001 | Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum | Nature chemical biology |
19581205 | 20090601 | Radioprotective effects of quercetin and ethanolic extract of propolis in gamma-irradiated mice | Arhiv za higijenu rada i toksikologiju |
17541161 | 20070601 | The role of nitric oxide in radiation damage | Biological & pharmaceutical bulletin |
Complexity: | 63.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.90199 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.90404 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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