1187594-09-7 | 2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1mg	95%	in stock	$21.00	$15.00
2mg	95%	in stock	$27.00	$19.00
5mg	95%	in stock	$35.00	$25.00
10mg	95%	in stock	$43.00	$30.00
25mg	95%	in stock	$48.00	$34.00
50mg	95%	in stock	$76.00	$54.00
250mg	95%	in stock	$77.00	$54.00
1g	95%	in stock	$198.00	$138.00
5g	95%	in stock	$595.00	$417.00
10g	95%	in stock	$1,055.00	$739.00
25g	95%	in stock	$1,689.00	$1,182.00

Description

• Catalog Number: AB52938
• Chemical Name: 2-(3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
• CAS Number: 1187594-09-7
• Molecular Formula: C16H17N7O2S
• Molecular Weight: 371.4169
• MDL Number: MFCD21608464
• SMILES: N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2

Computed Properties

• Complexity: 678
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 5
• XLogP3: -0.5

Upstream Synthesis Route

1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile is a versatile compound commonly used in chemical synthesis processes. It acts as a key intermediate in the synthesis of pharmaceutical compounds and agrochemicals. This compound is known for its ability to introduce functional groups such as sulfonyl, pyrazole, and azetidine into target molecules, facilitating the formation of structurally complex and diverse chemical compounds. Its unique chemical structure enables it to participate in various reactions, including cross-coupling, nucleophilic substitution, and cyclization reactions, making it a valuable building block in the development of new materials and bioactive molecules.

Literature

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  The New England journal of medicine 20160331

• Reversal of Alopecia Areata Following Treatment With the JAK1/2 Inhibitor Baricitinib.

  EBioMedicine 20150401

• Alopecia areata is driven by cytotoxic T lymphocytes and is reversed by JAK inhibition.

  Nature medicine 20140901

• Discovery and development of Janus kinase (JAK) inhibitors for inflammatory diseases.

  Journal of medicinal chemistry 20140626

• Inhibition of Janus kinase/signal transducer and activator of transcription (JAK/STAT) signalling pathway in rheumatoid synovial fibroblasts using small molecule compounds.

  Clinical and experimental immunology 20131201

• Selective inhibition of JAK1 and JAK2 is efficacious in rodent models of arthritis: preclinical characterization of INCB028050.

  Journal of immunology (Baltimore, Md. : 1950) 20100501