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Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) | CAS No. 656247-18-6

Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1)

Basic Information

Chemical_Structure_Of
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CAS Number

656247-18-6

Molecular Formula

C33H39N5O7S

Molecular Weight

649.77 g/mol

AD

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

SMILES

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CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

InChI

InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;

InChIKey

MMMVNAGRWOJNMW-FJBFXRHMSA-N

LogP

3.5100000000000025

Topological Polar Surface Area

148.59 Ų

Hydrogen Bond Donor/Acceptor

3 / 12

Complexity

997

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

  • BIBF 1120 esylate
  • (3Z)-2,3-DIHYDRO-3-[[[4-[METHYL[2-(4-METHYL-1-PIPERAZINYL)ACETYL]AMINO]PHENYL]AMINO]PHENYLMETHYLENE]-2-OXO-1H-INDOLE-6-...
  • (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic acid methyl ester ethanesulfonate
  • (Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate ethanesulfonate
  • BIBF 1120 ethanesulfonate salt
  • BIBF1120
  • BIBF-1120 esylate
  • Intedanib ethanesulfonate
  • Nintedanib Esylate
  • Nintedanib Ethanesulfonate Salt
  • Nintedanib, Ethanesulfonate Salt (BIBF1120 Esylate, Intedanib Esylate, Vargatef®)
  • Nintedanib ethanesulfonate
  • Trinidad Neeb esylate
  • (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic acid methyl ester ethanesulfonate;Nintedanib ethanesulfonate;BIBF 1120 esylate;BIBF-1120 esylate;Nintedanib esylate;Nintedanib ethanesulfonate salt;BIBF1120/nintedanib ethanesulfonate salt;Trinidad Neeb esylate
  • OFEV
  • BIBF 1120 (esylate)
  • 42F62RTZ4G
  • Nintedanib Esilate
  • BCP09963
  • NSC753000
  • Nintedanib esylate
  • methyl (Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
  • ethanesulfonate (1:1)

MDL Number

MFCD26142360

FAQ

What is Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6)?
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) is a complex organic compound with the CAS number 656247-18-6. It contains a sulfonic acid group, a methyl ester, and a substituted indoline ring, making it a potential pharmaceutical intermediate. The compound is typically a solid at room temperature and exhibits solubility in polar organic solvents. Its molecular structure suggests it may have applications in drug development due to its functional groups and potential biological activity.

What are the main uses of Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6)?
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) is primarily used in pharmaceutical research as an intermediate for developing drugs. Its structure includes a sulfonic acid moiety and a complex indoline framework, which may be useful in the synthesis of bioactive molecules. It is also used in chemical synthesis to create derivatives with potential therapeutic applications. The compound is relevant in the fields of medicinal chemistry and drug discovery.

Is Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6) safe?
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6) is generally considered safe when handled properly in controlled environments. However, as a chemical compound, it should be treated with caution, especially during synthesis and purification. Safety measures include wearing personal protective equipment (PPE) and ensuring proper ventilation. It is important to follow standard laboratory safety protocols and consult safety data sheets (SDS) for detailed information on handling and exposure limits.

How should Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6) be stored?
Ethanesulfonic acid - methyl (3Z)-3-{[(4-{methyl[(4-methyl-1-piperazinyl)acetyl]amino}phenyl)amino](phenyl)methylene}-2-oxo-6-indolinecarboxylate (1:1) (CAS: 656247-18-6) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep the compound in a sealed container, away from moisture and air. Storage at temperatures below 25°C is ideal, and it should be protected from light to prevent degradation. Always follow the manufacturer's guidelines for specific storage conditions.

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