2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid | CAS No. 2230198-02-2

2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid

Basic Information

CAS Number

2230198-02-2

Molecular Formula

C31H30FN5O4

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

N#CC1C=C(F)C(COC2=CC=CC(=N2)C2CCN(CC3=NC4=CC=C(C=C4N3C[C@@H]3CCO3)C(O)=O)CC2)=CC=1

InChI

InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1

InChIKey

HYBAKUMPISVZQP-DEOSSOPVSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

941

Synonyms & References

English

  • DN9IUI24GP
  • BDBM349662
  • Q63141738
  • 1H-Benzimidazole-6-carboxylic acid, 2-((4-(6-((4-cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-
  • 2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy}pyridin-2-yl)piperidin-1-yl]methyl}-1-[(2S)-oxetan-2-ylmethyl]-1H-benzimidazole-6-carboxylic acid
  • CID 134611040
  • Danuglipron
  • 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid
  • UK4
  • Danuglipron [USAN]
  • s9851
  • WHO 11630
  • PF6882961
  • (S)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]

FAQ

What regulatory guidelines apply to 2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid (CAS: 2230198-02-2)?

This compound falls under the regulatory frameworks of GHS for hazardous communication, REACH for European manufacturers and importers, and FDA and EPA guidelines for food and pharmaceutical applications. Specific tests and documentation may be required based on its intended use and concentration levels.

Are there alternatives to 2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid (CAS: 2230198-02-2) in synthesis?

There are several alternatives such as 2-pyridin-4-ylbenzoate and other benzimidazole derivatives that can serve similar functions in synthesis. These alternatives can offer variations in reactivity and selectivity, depending on the specific application.

What is the market or research trend for 2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid (CAS: 2230198-02-2)?

Research trends in this compound include its applications in anticancer and antiviral treatments. Market trends show increasing interest in novel drug development and personalized medicine, with potential for growth in pharmaceutical and biotech sectors.

How should waste containing 2-[(4-{6-[(4-Cyano-2-fluorobenzyl)oxy]-2-pyridinyl}-1-piperidinyl)methyl]-1-[(2S)-2-oxetanylmethyl]-1H-benzimidazole-6-carboxylic acid (CAS: 2230198-02-2) be handled?

Waste containing this compound should be collected in appropriate containers, labeled, and disposed of through professional waste management services. Incineration under controlled conditions or disposal in hazardous waste facilities are recommended to ensure compliance with environmental regulations and safety standards.

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