(2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid | CAS No. 1629869-44-8

(2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid

Basic Information

CAS Number

1629869-44-8

Molecular Formula

C20H19F2N5O2

Molecular Weight

399.4 g/mol

AD

Basic Physical Properties

OC(=O)[C@@H]1[C@@H](Nc2nc(ncc2F)c3c[nH]c4ncc(F)cc34)C5CCC1CC5

InChI

InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1

InChIKey

JGPXDNKSIXAZEQ-SBBZOCNPSA-N

LogP

3.599400000000002

Topological Polar Surface Area

103.79 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

620

Synonyms & References

English

  • Pimodivir
  • VX-787
  • VX787
  • DFC121MXC3
  • JNJ872
  • (2S,3S)-3-((5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo[2.2.2]octane-2-carboxylic acid
  • JNJ63623872
  • (2s,3s)-3-[[5-Fluoranyl-2-(5-Fluoranyl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-4-Yl]amino]bicyclo[2.2.2]octane-2-Carboxylic Acid
  • (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
  • 21G
  • P

MDL Number

MFCD31382121

FAQ

What are the physical and chemical properties of (2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid (CAS: 1629869-44-8)?

This compound has a crystalline form with a molecular weight of approximately 430.23 g/mol. It is sparingly soluble in water but soluble in organic solvents. The compound is reactive towards nucleophiles and can undergo various transformations. It is stable under normal storage conditions but should be protected from moisture and light.

How is (2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid (CAS: 1629869-44-8) typically synthesized?

This compound can be synthesized via a multi-step process involving the condensation of 5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid with a pyrimidine derivative. The reaction is typically carried out in the presence of a suitable base and solvent. The yield is moderate, and the reaction is selective for the desired product.

What industries use (2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid (CAS: 1629869-44-8)?

This compound finds applications in the pharmaceutical industry, where it can be used as an intermediate in the synthesis of drugs. Its use in other industries such as polymers, sensors, and semiconductors is limited but possible depending on its specific properties and functionality.

What precautions should be taken when handling (2S,3S)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid (CAS: 1629869-44-8)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place away from moisture and light. In case of a spill, use appropriate spill cleanup materials and refer to the safety data sheet (SDS) for specific instructions.

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...