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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:
9211307
MDL number:
MFCD00674040
UNSPSC Code:
12352100
PubChem Substance ID:
24869503
NACRES:
NA.22

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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Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Jun Shimokawa et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 11(23), 6878-6888 (2005-09-15)
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
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.
Application of molecular topology to the search of novel NSAIDs: experimental validation of activity.
Galvez-Llompart M, et al.
Letters in Drug Design & Discovery, 7(6), 438-445 (2010)

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