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251038

2-Benzyl-2-thiopseudourea hydrochloride

Name: 2-Benzyl-2-thiopseudourea hydrochloride
Brand: ALDRICH

98%

Synonym(s):

S-Benzylisothiourea hydrochloride, S-Benzylthiuronium chloride

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About This Item

Linear Formula:

C₆H₅CH₂SC(=NH)NH₂ · HCl

CAS Number:

538-28-3

Molecular Weight:

202.70

Beilstein:

3656719

EC Number:

208-688-6

MDL number:

MFCD00012583

UNSPSC Code:

12352100

PubChem Substance ID:

24855097

NACRES:

NA.22

Quality Level

200

Assay

98%

form

solid

mp

177-179 °C (lit.)

solubility

methanol: soluble 1 g/10 mL, clear, colorless to very faintly yellow

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

Related Categories

Organic Building Blocks

General description

S-benzylisothiourea analogs (2-benzyl-2-thiopseudourea hydrochloride), as small-molecule inhibitors of indoleamine-2,3-dioxygenase, has been studied.

Pictograms

GHS06

Signal Word

Danger

Hazard Statements

H300

Precautionary Statements

P264 - P301 + P310

Hazard Classifications

Acute Tox. 2 Oral

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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S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

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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