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

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

CAS No.:
1187594-09-7
Catalog Number:
AG003A5U
Molecular Formula:
C16H17N7O2S
Molecular Weight:
371.4169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$112
- +
1g
98%
In Stock USA
United States
$278
- +
5g
98%
In Stock USA
United States
$834
- +
Product Description
Catalog Number:
AG003A5U
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
IUPAC Name:
2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
InChI:
InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
InChI Key:
XUZMWHLSFXCVMG-UHFFFAOYSA-N
SMILES:
N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2
UNII:
ISP4442I3Y
Properties
Complexity:
678  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.116g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
371.419g/mol
Monoisotopic Mass:
371.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Baricitinib in Patients with Refractory Rheumatoid Arthritis. 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
Properties