4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

475207-59-1

Molecular Formula

C28H24ClF3N4O6S

Molecular Weight

637.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

240-243°C

Boiling Point

523.3 °C at 760 mmHg

Density

1.454

Flash Point

270.3 °C

SMILES

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Cc1ccc(cc1)S(=O)(=O)O.CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

InChI

InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)

InChIKey

IVDHYUQIDRJSTI-UHFFFAOYSA-N

LogP

6.791420000000004

Topological Polar Surface Area

146.72 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

853

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SORAFENIB TOSYLATE
Sorafenib &amp
its intermediates
Sorafinib mesylate
4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide monomethanesulfonate
Sorafenib Tosylate(Bay 43-9006,Nexavar)
2-PyridinecarboxaMide, 4-[4-[[[[4-chloro-3-(trifluoroMethyl)phenyl]aMino]carbonyl]aMino]phenoxy]-N-Methyl-, 4-Methylbenzenesulfonate
Sorafenib Tosylate (Nexavar)
Sorafenib (Nexavar)
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenox...
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide,4-methylbenzenesulfonic acid
Bay 43-9006
Sorafenib
Sorafenib (Tosylate)
Sorafenib Tosylate (Sorafenib p-Toluenesulfonate, BAY 54-9085, Nexavar®)
Doxorubicin HCl
4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H- imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide
&nbsp
Nexavar
Sorafenib tosylate [USAN]
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate)
4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate)
Nexavar(R)
UNII-5T62Q3B36J
2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate)
Sorafenib & its intermediates
5T62Q3B36J
AK162385
Sorafenib tosylate (USAN)
DSSTox_CID_27817
DSSTox_RID_82581

MDL Number

MFCD08235032

FAQ

What is 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1) (CAS: 475207-59-1)?

4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1), with CAS number 475207-59-1, is a complex organic compound containing a pyridine ring and a sulfonate group. It exhibits high molecular weight and is typically used in specialized chemical applications. The compound is known for its structural complexity, which makes it relevant in pharmaceutical and research contexts.

What are the main uses of 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1) (CAS: 475207-59-1)?

This compound is primarily used in pharmaceutical research as a potential inhibitor of specific enzymes. It is also employed in organic synthesis and as a building block for developing new drugs. Its unique structure and functional groups make it valuable in the design of compounds with biological activity, particularly in the fields of medicinal chemistry and drug discovery.

Is 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1) (CAS: 475207-59-1) safe?

As a chemical compound, 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1) (CAS: 475207-59-1) is generally considered safe when handled according to standard laboratory procedures. However, it should be treated with care due to potential irritant properties. Safety data sheets (SDS) recommend protective equipment such as gloves and goggles to ensure safe handling and minimize exposure risks.

How should 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methyl-2-pyridinecarboxamide 4-methylbenzenesulfonate (1:1) (CAS: 475207-59-1) be stored?

To maintain stability and safety, this compound should be stored in a cool, dry, and dark place, away from moisture and direct light. It is recommended to keep it in a sealed, airtight container to prevent degradation. Storage conditions should also ensure it is kept at a controlled temperature, typically below 25°C, to avoid any chemical changes. Proper labeling and storage in a well-ventilated area are essential.