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INCB 18424

INCB 18424 structure

CAS No:
941685-37-6
Formula:
C17H18N6
Chemical Name:
INCB 18424
Synonyms:
1H-Pyrazole-1-propanenitrile,β-cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-,(βS)-;(βS)-β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile;INCB 18424;(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile;S-Ruxolitinib;(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;1160597-27-2
Categories:
Biochemical Engineering > Inhibitors

Description

Ruxolitinib S enantiomer is the S-enantiomer of Ruxolitinib. Ruxolitinib is the first potent, selective JAK1/2 inhibitor to enter the clinic with IC50 of 3.3 nM/2.8 nM in cell-free assays.

INCB 18424 Basic Attributes

Molecular Weight：

305.35708

Exact Mass：

306.36

DSSTox ID：

DTXSID30678918

Characteristics

PSA：

83.2

XLogP3：

1.69

Density：

1.4±0.1 g/cm3

Boiling Point：

592.6±50.0 °C at 760 mmHg

Flash Point：

312.2±30.1 °C

Refractive Index：

1.747

INCB 18424 Use and Manufacturing

(3S)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile is a newly developed JAK2inhibitor therapy aimed to improve MPN-associated splenomegaly and systemic symptoms.

Computed Properties

Molecular Weight:306.4
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:306.15929460
Monoisotopic Mass:306.15929460
Topological Polar Surface Area:83.2
Heavy Atom Count:23
Complexity:453
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes