Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0181)
Name
Ruxolitinib
Synonyms
Ruxolitinib; 941678-49-5; INCB018424; Ruxolitinib (INCB018424); INCB-018424; (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile; INCB 018424; R-Ruxolitinib; INC424; UNII-82S8X8XX8H; 82S8X8XX8H; CHEBI:66919; (R)-ruxolitinib; INCB18424; INC 424; INC-424; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; INCB-18424; HSDB 8259; DTXSID10240930; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile; (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; (3R)-3-CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE; 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-; Ruxolitinib [INN]; Ruxolitinib [USAN:INN]; ruxolitinibum; INCB 18424; (3R)-3-cyclopentyl-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile; RXT; RUXOLITINIB [MI]; 1092939-15-5; Ruxolitinib (USAN/INN); INCB18424,Ruxolitinib; RUXOLITINIB [USAN]; RUXOLITINIB [VANDF]; RUXOLITINIB [WHO-DD]; SCHEMBL171319; GTPL5688; INCB018424 - Ruxolitinib; CHEMBL1789941; SCHEMBL16546708; DTXCID40163421; L01XE18; HFNKQEVNSGCOJV-OAHLLOKOSA-N; Oral JAK Inhibitor INCB18424; AMY24152; EX-A1670; BDBM50355501; MFCD12031592; NSC763371; NSC800874; s1378; AKOS016842401; BCP9000784; CCG-264889; CS-0864; DB08877; NSC-763371; NSC-800874; NCGC00244253-01; NCGC00244253-02; NCGC00244253-11; NCGC00244253-12; AC-24280; AS-18619; HY-50856; A14955; A23578; D09959; AB01565782_02; EN300-18772174; Q7383611; BRD-K53972329-001-02-1; BRD-K53972329-001-03-9; (3R)-3-cyclopentyl-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H -pyrazol-1-yl)-3-cyclopentylpropanenitrile; 3-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(beta-R)-1H-pyrazole-1-propanenitrile; 3R)-3-cyclopentyl-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)propanenitrile; A-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(AR)-1H-pyrazole-1-propanenitrile; (?R)-?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile; (3R)-3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; (?R)-?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile; INC 424; INCB 018424; Ruxolitinib; (3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile;Ruxolitinib; 1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-CYCLOPENTYL-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-; 1H-PYRAZOLE-1-PROPANENITRILE, beta-CYCLOPENTYL-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (betaR)-

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Structure
Formula
C17H18N6
IUPAC Name
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
Canonical SMILES
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
InChIKey
HFNKQEVNSGCOJV-OAHLLOKOSA-N
PubChem CID
25126798
Full List of Ferroptosis Target Related to This Drug
Transferrin receptor protein 1 (TFRC)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Marker/Suppressor/Driver
Responsed Disease Traumatic brain injury ICD-11: NA07
 Disease Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Cell Process Cell ferroptosis
In Vitro Model hBCs (Brain cells)
In Vivo Model
Adult male C57BL/6J mice (6-8 weeks, weighting 20-25 g) were used for all experiments. Mice were housed in pairs in a cage with access to food and water ad libitum. Mice were anesthetized with 4% chloral hydrate (0.4 mg/g) and mounted in a stereotaxic system (David Kopf Instruments, Tujunga, California). A midline skin incision was performed on the scalp to expose the skull, and a 5-mm craniotomy was made lateral to the sagittal suture and centered between bregma and lambda. The skull cap was then removed carefully to avoid destroying the dura mater.

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Response regulation Ruxolitinib exerts neuroprotection via repressing ferroptosis in a mouse model of traumatic brain injury. Ruxo significantly inhibited the expressions of COX2 and TfR1. In addition, Ruxo also reversed the lower expression of GPX4 caused by Traumatic brain injury.
Prostaglandin G/H synthase 2 (PTGS2)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Marker
Responsed Disease Traumatic brain injury ICD-11: NA07
 Disease Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Cell Process Cell ferroptosis
In Vitro Model hBCs (Brain cells)
In Vivo Model
Adult male C57BL/6J mice (6-8 weeks, weighting 20-25 g) were used for all experiments. Mice were housed in pairs in a cage with access to food and water ad libitum. Mice were anesthetized with 4% chloral hydrate (0.4 mg/g) and mounted in a stereotaxic system (David Kopf Instruments, Tujunga, California). A midline skin incision was performed on the scalp to expose the skull, and a 5-mm craniotomy was made lateral to the sagittal suture and centered between bregma and lambda. The skull cap was then removed carefully to avoid destroying the dura mater.

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Response regulation Ruxolitinib exerts neuroprotection via repressing ferroptosis in a mouse model of traumatic brain injury. Ruxo significantly inhibited the expressions of COX2 and TfR1. In addition, Ruxo also reversed the lower expression of GPX4 caused by Traumatic brain injury.
References
Ref 1 Ruxolitinib exerts neuroprotection via repressing ferroptosis in a mouse model of traumatic brain injury. Exp Neurol. 2021 Aug;342:113762. doi: 10.1016/j.expneurol.2021.113762. Epub 2021 May 12.