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458783

Sigma-Aldrich

1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea

95%

Synonym(s):

1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea, 2-Methyl-1,3-di-Z-isothiourea

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About This Item

Linear Formula:
C6H5CH2O2CN=C(SCH3)NHCO2CH2C6H5
CAS Number:
25508-20-7
Molecular Weight:
358.41
Beilstein/REAXYS Number:
9211307
MDL number:
MFCD00674040
UNSPSC Code:
12352100
PubChem Substance ID:
24869503
NACRES:
NA.22

Quality Level

100

assay

95%

form

solid

mp

60-63 °C (lit.)

SMILES string

CS\C(NC(=O)OCc1ccccc1)=N/C(=O)OCc2ccccc2

InChI

1S/C18H18N2O4S/c1-25-16(19-17(21)23-12-14-8-4-2-5-9-14)20-18(22)24-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20,21,22)

InChI key

CGAMNSKIHXUDMK-UHFFFAOYSA-N

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wgk_germany

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flash_point_f

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flash_point_c

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ppe

Eyeshields, Gloves, type N95 (US)

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David M Raffel et al.
Journal of medicinal chemistry, 50(9), 2078-2088 (2007-04-11)
The norepinephrine transporter (NET) substrates [123I]-m-iodobenzylguanidine (MIBG) and [11C]-m-hydroxyephedrine (HED) are used as markers of cardiac sympathetic neurons and adrenergic tumors (pheochromocytoma, neuroblastoma). However, their rapid NET transport rates limit their ability to provide accurate measurements of cardiac nerve density.
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Asymmetric total synthesis of batzelladine A (1) and batzelladine D (2) has been achieved. Our synthesis of batzelladines features 1) stereoselective construction of the cyclic guanidine system by means of successive 1,3-dipolar cycloaddition reaction and subsequent cyclization, 2) direct esterification
Application of molecular topology to the search of novel NSAIDs: experimental validation of activity.
Galvez-Llompart M, et al.
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