Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate

Basic Information

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CAS Number

208465-21-8

Molecular Formula

C17H21N5O9S2

Molecular Weight

503.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

195.4°

SMILES

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COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC

InChI

InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)

InChIKey

NIFKBBMCXCMCAO-UHFFFAOYSA-N

LogP

-0.15999999999999903

Topological Polar Surface Area

191.97999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 14

Complexity

876

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Toxicity

LD50 in rats (mg/kg): >5000 orally; >5000 dermally; LC50 in rats: >1.33 mg/l air (Hacker)

Synonyms & References

English

Mesosulfuronmethyl Mesosulfuron methyl
Mesosulfuron-methyl 100 microg/mL in Acetonitrile
NCGC00168322-01
AE-F130060
CHEMBL1883630
CS-0109099
AMY3549
Mesosulfuron-methyl, PESTANAL(R), analytical standard
NS00009416
methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-4-(methanesulfonamidomethyl)benzoate
J-013673
NIFKBBMCXCMCAO-UHFFFAOYSA-N
EN300-1168892
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate
OSPREY
DTXSID6034712
METHYL 2-(3-(4,6-DIMETHOXYPYRIMIDIN-2-YL)UREIDOSULFONYL)-4-METHANESULFONAMIDOMETHYLBENZOATE
Mesosulfuron-methyl [ISO]
Mesosulfuron-methyl
MESOSULFURON-METHYL [MI]
C17H21N5O9S2
DS-8021
methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)-4-{[(methylsulfonyl)amino]methyl}benzoate
HSDB 7889
Mesomaxx
AC-28793
methyl 2-(N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-4-(methylsulfonamidomethyl)benzoate
SCHEMBL116828
UNII-22L00R79A6
SILVERADO
Q27253658

MDL Number

MFCD04112616

FAQ

What is Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate (CAS: 208465-21-8)?

Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate is a complex organic compound. It is composed of a benzene ring with specific functional groups including a carbamoyl, sulfamoyl, and methylsulfonyl moiety. This compound is used primarily in research and pharmaceutical applications due to its unique chemical structure.

What are the main uses of Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate (CAS: 208465-21-8)?

This compound is mainly used in pharmaceutical research for its potential therapeutic applications. It may serve as a precursor in the synthesis of active pharmaceutical ingredients (APIs) and has been explored for its potential anti-inflammatory and antiviral properties.

Is Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate (CAS: 208465-21-8) safe?

The safety of Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate depends on proper handling. It is generally considered safe under normal laboratory conditions, but exposure to skin or inhalation should be avoided. Protective measures include wearing gloves and appropriate lab attire. Storage should be in a well-ventilated area, away from heat and direct sunlight.

How should Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate (CAS: 208465-21-8) be stored?

Methyl 2-{[(4,6-dimethoxy-2-pyrimidinyl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate should be stored at room temperature, protected from light and moisture. It should be kept in a tightly sealed container to maintain its stability. Avoid storing in areas with high humidity or extreme temperatures to prevent degradation of the compound.