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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H37N7O2
Molecular Weight 527.6605
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEZULCITINIB

SMILES

CCC1=CC(O)=CC=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(C[C@H](N(C5)C(C)C)C(=O)N6CC(C6)N(C)C)N4

InChI

InChIKey=VQIIUJSNIKEMCK-MHZLTWQESA-N
InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H37N7O2
Molecular Weight 527.6605
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 Wed Apr 02 07:16:34 GMT 2025
Edited
by admin
on Wed Apr 02 07:16:34 GMT 2025
Record UNII
CXA4I8AH6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEZULCITINIB
INN   USAN  
Official Name English
METHANONE, (3-(DIMETHYLAMINO)-1-AZETIDINYL)((6S)-2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-4,5,6,7-TETRAHYDRO-5-(1-METHYLETHYL)-3H-IMIDAZO(4,5-C)PYRIDIN-6-YL)-
Preferred Name English
Nezulcitinib [WHO-DD]
Common Name English
TD-0903
Code English
NEZULCITINIB [USAN]
Common Name English
(S)-(3-(DIMETHYLAMINO)AZETIDIN-1-YL)(2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-5-ISOPROPYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO(4,5-C)PYRIDIN-6-YL)METHANONE
Systematic Name English
nezulcitinib [INN]
Common Name English
THRX-136377
Code English
(3-(DIMETHYLAMINO)AZETIDIN-1-YL)((6S)-2-(6-(2-ETHYL-4-HYDROXYPHENYL)-1H-INDAZOL-3-YL)-5-(PROPAN-2-YL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-C)PYRIDIN-6-YL)METHANONE
Systematic Name English
Code System Code Type Description
CAS
2412496-23-0
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
PUBCHEM
146421275
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
USAN
JK-180
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
SMS_ID
300000023359
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
INN
11732
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
NCI_THESAURUS
C177760
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
FDA UNII
CXA4I8AH6A
Created by admin on Wed Apr 02 07:16:34 GMT 2025 , Edited by admin on Wed Apr 02 07:16:34 GMT 2025
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY
TD-0903 demonstrated potent pan-JAK inhibitory activity at the human, purified, isolated JAK kinase domains