Name: Name:N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
Brand: Angene
SKU: AG005FH6
Rating: 90 (10 reviews)

N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

CAS No.:

717906-29-1

Catalog Number:

AG005FH6

Molecular Formula:

C22H21F3N6O3S

Molecular Weight:

506.5007

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$91

- +

5mg

≥98%

1 week

United States

$169

- +

10mg

≥98%

1 week

United States

$214

- +

50mg

≥98%

1 week

United States

$578

- +

Product Description

Catalog Number:

AG005FH6

Chemical Name:

N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

CAS Number:

717906-29-1

Molecular Formula:

C22H21F3N6O3S

Molecular Weight:

506.5007

MDL Number:

MFCD16038300

IUPAC Name:

N-methyl-N-[2-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

InChI:

InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)

InChI Key:

POJZIZBONPAWIV-UHFFFAOYSA-N

SMILES:

O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1ccccc1N(S(=O)(=O)C)C)C(F)(F)F

Properties

Complexity:

854

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

506.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

506.504g/mol

Monoisotopic Mass:

506.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Emerging targets in osteoporosis disease modification.	Journal of medicinal chemistry 20100610
Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.	Bioorganic & medicinal chemistry letters 20090615
Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.	The Journal of biological chemistry 20090508

Properties