CAS Number17557-67-4
Synonyms2-amino-6-(methylsulfonyl)benzothiazole; 6-(Methylsulfonyl)-1,3-benzothiazol-2-amine; MFCD00179133; 2-Amino-6-methylsulfonylbenzothiazole; 6-methylsulfonyl-1,3-benzothiazol-2-amine; EINECS 241-537-2
Molecular FormulaC8H8O2N2S2
Molecular Weight228.3
Purity98%
Density1.5±0.1 g/cm3
Boiling Point500.8±56.0 °C at 760 mmHg
Melting Point223 °C (dec.)(lit.)
AppearanceWhite to light yellow powder
EINECS241-537-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 17557-67-4 |
| Catalog No. | 2A-9002408 |
| Chinese Name | 2-氨基-6-甲砜基苯并噻唑 |
| Synonyms | 2-amino-6-(methylsulfonyl)benzothiazole; 6-(Methylsulfonyl)-1,3-benzothiazol-2-amine; MFCD00179133; 2-Amino-6-methylsulfonylbenzothiazole; 6-methylsulfonyl-1,3-benzothiazol-2-amine; EINECS 241-537-2 |
| Molecular Formula | C8H8O2N2S2 |
| Molecular Weight | 228.3 |
| Purity | 98 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 500.8±56.0 °C at 760 mmHg |
| Melting Point | 223 °C (dec.)(lit.) |
| Appearance | White to light yellow powder |
| Storage Condition | Room Temperature |
| Application | TbPTR1 inhibitor 2 (compound 3a) is a PTR1 enzyme inhibitor, with IC50s of TbPTR1-LmPTR1 being 34.2 and 32.9 μM respectively. TbPTR1 inhibitor 2 has anti-parasitic activity against Brucella (IC50: 34. |
| EINECS | 241-537-2 |
| HTC | 2934999090 |
| MDL Number | MFCD00179133 |
| SMILES | CS(=O)(=O)c1ccc2nc(N)sc2c1 |
| InChI | InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10) |
| InChI Key | ZYHNHJAMVNINSY-UHFFFAOYSA-N |
| Hazard Symbols | Transport |
| MSDS | msds/2408_1_17557_67_4.pdf |
| Bioactivity | 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 InChIKey ZYHNHJAMVNINSY-UHFFFAOYSA-N SMILES CS(=O)(=O)c1ccc2nc(N)sc2c1 |
| Use of | 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]. Properties Name 2-Amino-6-(Methylsulfonyl)Benzothiazole Synonym More Synonyms 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 Molecular Formula C8H8N2O2S2 Exact Mass 228.002716 PSA 109.67000 Index of Refraction 1.688 InChIKey ZYHNHJAMVNINSY-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (2-Amino-6-(methylsulfonyl)benzothiazole) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (2-Amino-6-(methylsulfonyl)benzothiazole) International air transport hazard regulations: Toxic solid, organic, n.o.s. (2-Amino-6-(methylsulfonyl)benzothiazole) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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