251038
2-Benzyl-2-thiopseudourea hydrochloride
98%
Synonym(s):
S-Benzylisothiourea hydrochloride, S-Benzylthiuronium chloride
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About This Item
Linear Formula:
C6H5CH2SC(=NH)NH2 · HCl
CAS Number:
Molecular Weight:
202.70
Beilstein:
3656719
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
form
solid
mp
177-179 °C (lit.)
solubility
methanol: soluble 1 g/10 mL, clear, colorless to very faintly yellow
functional group
amine
phenyl
thioether
SMILES string
Cl.NC(=N)SCc1ccccc1
InChI
1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChI key
WJAASTDRAAMYNK-UHFFFAOYSA-N
General description
S-benzylisothiourea analogs (2-benzyl-2-thiopseudourea hydrochloride), as small-molecule inhibitors of indoleamine-2,3-dioxygenase, has been studied.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 2 Oral
Storage Class Code
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Kenji Matsuno et al.
Bioorganic & medicinal chemistry letters, 20(17), 5126-5129 (2010-08-07)
S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of sub-muM inhibitors 3r and 10h, both of which suppressed kynurenine production in A431
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