1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) | CAS No. 1260141-27-2

1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1)

Basic Information

CAS Number

1260141-27-2

Molecular Formula

C21H20FN3O6S

Molecular Weight

461.47 g/mol

AD

Basic Physical Properties

CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ROGSHYHKHPCCJW-WLHGVMLRSA-N

LogP

2.3574

Topological Polar Surface Area

138.59 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

629

Safety Information

View Safety Information

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

  • TAK-438
  • 1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine fumarate
  • 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine,(E)-4-oxopent-2-enoic acid
  • TAK 438
  • Vonoprazan Fumarate
  • Vonoprazan Fumarate (TAK-438)
  • TAK-438 impurity
  • 5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine 2-butenedioate
  • TAK 438,Vonoprazan
  • TAK438
  • TAK-438;Vonoprazan fumarate

MDL Number

MFCD18633280

FAQ

What is 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2)?

1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) is a complex organic compound with the CAS number 1260141-27-2. It features a pyridine-based sulfonamide group, a 2-fluorophenyl substituent, and a methanamine moiety linked via a pyrrolidine ring. The compound is typically a white or off-white solid with moderate solubility in polar solvents. It is used as an intermediate in pharmaceutical research, particularly in the development of drugs targeting metabolic pathways.

What are the main uses of 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2)?

The primary use of 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2) is as a pharmaceutical intermediate, particularly in the synthesis of drugs related to enzyme inhibition and metabolic regulation. It is also used in research for developing novel compounds with potential applications in medicinal chemistry. Its structure makes it suitable for drug design targeting specific biological receptors or pathways.

Is 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2) safe?

The safety of 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2) depends on handling conditions. As a research chemical, it may require adherence to standard safety protocols, including proper ventilation and PPE. While no specific toxicity data is publicly available, its components (e.g., pyridine derivatives) suggest potential irritancy. Always follow safety data sheet guidelines and handle with care to minimize exposure risks.

How should 1-[5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine (2E)-2-butenedioate (1:1) (CAS: 1260141-27-2) be stored?

This compound should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in a sealed container to prevent moisture ingress. Avoid exposure to heat and direct sunlight to maintain stability. Due to its chemical structure, it may require storage in airtight containers made of glass or HDPE. Always check manufacturer guidelines for specific conditions and ensure proper labeling to avoid contamination or degradation.

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