Name: Name:N-(5-(4-((1,1-Dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
Brand: Angene
SKU: AG0039FK
Rating: 90 (10 reviews)

N-(5-(4-((1,1-Dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

CAS No.:

1206161-97-8

Catalog Number:

AG0039FK

Molecular Formula:

C21H23N5O3S

Molecular Weight:

425.5040

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$91

- +

5mg

≥98%

1 week

United States

$187

- +

250mg

95%

1 week

United States

$252

- +

95%

1 week

United States

$569

- +

Product Description

Catalog Number:

AG0039FK

Chemical Name:

N-(5-(4-((1,1-Dioxidothiomorpholino)methyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

CAS Number:

1206161-97-8

Molecular Formula:

C21H23N5O3S

Molecular Weight:

425.5040

MDL Number:

MFCD20527867

IUPAC Name:

N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

InChI:

InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)

InChI Key:

RIJLVEAXPNLDTC-UHFFFAOYSA-N

SMILES:

O=C(C1CC1)Nc1nc2n(n1)c(ccc2)c1ccc(cc1)CN1CCS(=O)(=O)CC1

UNII:

3XVL385Q0M

Properties

Complexity:

715

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

425.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

425.507g/mol

Monoisotopic Mass:

425.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Discovery and development of Janus kinase (JAK) inhibitors for inflammatory diseases.	Journal of medicinal chemistry 20140626
Preclinical characterization of GLPG0634, a selective inhibitor of JAK1, for the treatment of inflammatory diseases.	Journal of immunology (Baltimore, Md. : 1950) 20131001

Properties