N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide

Basic Information

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CAS Number

717906-29-1

Molecular Formula

C22H21F3N6O3S

Molecular Weight

506.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Density

1.506

Solubility

DMSO: ≥10mg/mL

SMILES

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CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChI

InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)

InChIKey

POJZIZBONPAWIV-UHFFFAOYSA-N

LogP

3.741500000000002

Topological Polar Surface Area

116.32 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

854

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SCHEMBL3144824
PF-431396
CS-0250
N-Methyl-n-(2-((2-(2-oxondoln-5-ylamno)-5-(trfluoromethyl)pyrmdn-4-ylamno)methyl)phenyl)methanesulfonamde
N-METHYL-N-[2-[[[2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-TRIFLUOROMETHYLPYRIMIDIN-4-YL]AMINO]METHYL]PHENYL]METHANESULFONAMIDE
FT-0673545
POJZIZBONPAWIV-UHFFFAOYSA-N
CHEBI:91388
N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide
EX-A787
s7644
BRD-K93788137-001-01-7
HMS3244D12
CCG-221509
N-Methyl-N-[2-[[[2-[(2,3-dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]methanesulfonamide
N-[2-[[[2-[(2,3-Dihydro-2-oxo-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl]-N-methyl-methanesulfonamide
Q27163248
A866364
AC-33053
3fzr
AS-16219
PF 431396
J-523689
BDBM50246060
AKOS022184299
N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
HMS3244D04
N-METHYL-N-{2-[({2-[(2-OXO-1,3-DIHYDROINDOL-5-YL)AMINO]-5-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL}AMINO)METHYL]PHENYL}METHANESULFONAMIDE
HMS3244D08
NCGC00370948-06
C22H21F3N6O3S

MDL Number

MFCD16038300

FAQ

What is N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide (CAS: 717906-29-1)?

N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide is a complex organic compound with extensive potential applications. It features a methanesulfonamide group attached to a phenyl ring, with additional functional groups including pyrimidine and indole derivatives. This compound exhibits unique structural features that make it suitable for various chemical and pharmaceutical applications.

What are the main uses of N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide (CAS: 717906-29-1)?

N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide is primarily used in the pharmaceutical industry for the development of novel therapeutic agents. It also shows potential in cancer research and as a precursor in chemical synthesis.

Is N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide (CAS: 717906-29-1) safe?

N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide can be safe when handled with proper precautions. It is important to follow safety guidelines, wear appropriate personal protective equipment, and ensure proper ventilation. Storage and disposal should be in accordance with local regulations and safety protocols to minimize risks.

How should N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide (CAS: 717906-29-1) be stored?

N-Methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]phenyl}methanesulfonamide should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should be maintained between 15°C and 25°C to ensure stability and safety.