6-(Methylsulfonyl)-1,3-benzothiazol-2-amine

Names

[ Name ]:
6-(Methylsulfonyl)-1,3-benzothiazol-2-amine

[Synonym ]:
2-amino-6-(methylsulfonyl)benzothiazole
6-(Methylsulfonyl)-1,3-benzothiazol-2-amine
MFCD00179133
2-Amino-6-methylsulfonylbenzothiazole
6-methylsulfonyl-1,3-benzothiazol-2-amine
2-Benzothiazolamine, 6-(methylsulfonyl)-
EINECS 241-537-2

Biological Activity

[Description]:

TbPTR1 inhibitor 2 (Compound 3a) is a PTR1 enzyme inhibitor, with IC50s of 34.2 and 32.9 μM for TbPTR1 and LmPTR1. TbPTR1 inhibitor 2 has anti-parasitic activity against T. brucei (IC50: 34.2 μM)[1].

[Related Catalog]:

Research Areas >> Infection

[References]

[1]. Linciano P, et al. Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J Med Chem. 2019 Apr 25;62(8):3989-4012.

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
500.8±56.0 °C at 760 mmHg

[ Melting Point ]:
223 °C (dec.)(lit.)

[ Molecular Formula ]:
C₈H₈N₂O₂S₂

[ Molecular Weight ]:
228.29

[ Flash Point ]:
256.7±31.8 °C

[ Exact Mass ]:
228.002716

[ PSA ]:
109.67000

[ LogP ]:
0.17

[ Vapour Pressure ]:
0.0±1.3 mmHg at 25°C

[ Index of Refraction ]:
1.688

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL0863408

CHEMICAL NAME :: 2-Benzothiazolamine, 6-(methylsulfonyl)-

CAS REGISTRY NUMBER :: 17557-67-4

LAST UPDATED :: 199806

DATA ITEMS CITED :: 3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534339

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - ataxia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534339

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S36/37/39-S22

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DL0863408

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%