RUXOLITINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H18N6
Molecular Weight	306.365
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RUXOLITINIB

Structure Search

SMILES

N#CC[C@H](C1CCCC1)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChIKey=HFNKQEVNSGCOJV-OAHLLOKOSA-N

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

HIDE SMILES / InChI

Molecular Formula	C17H18N6
Molecular Weight	306.365
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:06:58 UTC 2023` Edited by `admin` on `Fri Dec 15 18:06:58 UTC 2023`
Record UNII	82S8X8XX8H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RUXOLITINIB

Official Name

English

RUXOLITINIB [VANDF]

Common Name

English

INCB018424

Code

English

INC424

Code

English

RUXOLITINIB [USAN]

Common Name

English

Ruxolitinib [WHO-DD]

Common Name

English

INCB-018424

Code

English

RUXOLITINIB [MI]

Common Name

English

INC-424

Code

English

(3R)-3-CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE

Systematic Name

English

1H-PYRAZOLE-1-PROPANENITRILE, .BETA.-CYCLOPENTYL-4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-, (.BETA.R)-

Common Name

English

INCB-18424

Code

English

ruxolitinib [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

NDF-RT

N0000175605

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

FDA ORPHAN DRUG

302310

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

FDA ORPHAN DRUG

932023

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

LIVERTOX

NBK548534

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

FDA ORPHAN DRUG

542716

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

WHO-ATC

L01XE18

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

FDA ORPHAN DRUG

529116

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

FDA ORPHAN DRUG

400613

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

EU-Orphan Drug

EU/3/14/1244

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

WHO-VATC

QL01XE18

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID10240930

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

RXCUI

1193326

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

RxNorm

ChEMBL

CHEMBL1789941

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

FDA UNII

82S8X8XX8H

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

NCI_THESAURUS

C77888

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

EVMPD

SUB32273

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

CHEBI

66919

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

DRUG CENTRAL

4190

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

MERCK INDEX

m9710

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

Merck Index

PUBCHEM

25126798

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

SMS_ID

100000124306

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

USAN

UU-160

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

DAILYMED

82S8X8XX8H

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

MESH

C540383

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

LACTMED

Ruxolitinib

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

DRUG BANK

DB08877

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

WIKIPEDIA

RUXOLITINIB

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

HSDB

8259

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

CAS

941678-49-5

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

IUPHAR

5688

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

INN

9287

Created by admin on Fri Dec 15 18:06:58 UTC 2023 , Edited by admin on Fri Dec 15 18:06:58 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					9LLR266790

TYROSINE-PROTEIN KINASE JAK3

TARGET -> INHIBITOR


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					08S4A2S6FT

TYROSINE-PROTEIN KINASE JAK1

TARGET -> INHIBITOR


					GL209F9TZS

TYROSINE-PROTEIN KINASE JAK2

TARGET -> INHIBITOR


					82S8X8XX8H

EXCRETED UNCHANGED

Qualification:

FECAL; URINE

Amount:


					Y83809589C

THIAMINE TRANSPORTER 2

TRANSPORTER -> NON-INHIBITOR

Comments:

GREATER THAN 100 MICROMOLAR

Qualification:

IC50

Amount:


					436LRU32H5

RUXOLITINIB PHOSPHATE

SALT/SOLVATE -> PARENT


					WVA83G6MCW

Ruxolitinib, S-

ENANTIOMER -> ENANTIOMER

Amount:


					66PU47MT2N

Ruxolitinib hydrochloride

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					38H7H33E44

METABOLITE ACTIVE -> PARENT


					F9V2A7I5VK

METABOLITE ACTIVE -> PARENT

B1922C0D1F

METABOLITE -> PARENT


					Q2NX38BMM6

(3R)-3-CYCLOPENTYL-3-(4-(2-HYDROXY-6-OXO-2,3,5,7-TETRAHYDROPYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE

METABOLITE -> PARENT

Related Record Type Details


					82S8X8XX8H

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC