ITACITINIB

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H23F4N9O
Molecular Weight	553.5141
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ITACITINIB

Structure Search

SMILES

FC1=C(C=CN=C1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)N4C=C(C=N4)C5=NC=NC6=C5C=CN6

InChI

InChIKey=KTBSXLIQKWEBRB-UHFFFAOYSA-N

InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula	C26H23F4N9O
Molecular Weight	553.5141
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:46:15 UTC 2023` Edited by `admin` on `Fri Dec 15 19:46:15 UTC 2023`
Record UNII	19J3781LPM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITACITINIB

Official Name

English

itacitinib [INN]

Common Name

English

INCB039110

Code

English

(1-(1-(3-FLUORO-2-(TRIFLUOROMETHYL)PYRIDINE- 4-CARBONYL)PIPERIDIN-4-YL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN- 4-YL)-1H-PYRAZOL-1-YL)AZETIDIN-3-YL)ACETONITRILE

Systematic Name

English

Itacitinib [WHO-DD]

Common Name

English

3-AZETIDINEACETONITRILE, 1-(1-((3-FLUORO-2-(TRIFLUOROMETHYL)-4-PYRIDINYL)CARBONYL)-4-PIPERIDINYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-

Systematic Name

English

ITACITINIB [USAN]

Common Name

English

INCB-039110

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

562716

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

NCI_THESAURUS

C1967

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

EU-Orphan Drug

EU/3/17/1964

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

Code System Code Type Description

USAN

CD-78

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

DRUG BANK

DB12154

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

SMS_ID

100000169938

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

CAS

1334298-90-6

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

PUBCHEM

53380437

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

INN

10313

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

ChEMBL

CHEMBL3544950

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

EVMPD

SUB183665

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

NCI_THESAURUS

C116855

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

FDA UNII

19J3781LPM

Created by admin on Fri Dec 15 19:46:16 UTC 2023 , Edited by admin on Fri Dec 15 19:46:16 UTC 2023

PRIMARY

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TYROSINE-PROTEIN KINASE JAK2

TARGET -> INHIBITOR


					08S4A2S6FT

TYROSINE-PROTEIN KINASE JAK1

TARGET -> INHIBITOR


					XZG407XE0Y

ITACITINIB ADIPATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					19J3781LPM

ACTIVE MOIETY