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Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N4O.C6H8O7
Molecular Weight 564.5864
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOTIRACICLIB CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C\C=C\CCOC2=CC(=CC=C2)C3=CC=NC(NC4=CC=CC(C1)=C4)=N3

InChI

InChIKey=NWYDRHSNEATNRI-SQQVDAMQSA-N
InChI=1S/C23H24N4O.C6H8O7/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b3-2+;

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
13.0 nM [IC50]
56.0 nM [IC50]
73.0 nM [IC50]
Name Type Language
ZOTIRACICLIB CITRATE
USAN  
Official Name English
Zotiraciclib citrate [WHO-DD]
Common Name English
20-OXA-5,7,14,27-TETRAAZATETRACYCLO(19.3.1.12,6.18,12)HEPTACOSA-1(25),2,4,6(27),8,10,12(26),16,21,23-DECAENE, 14-METHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
TG-02 CITRATE
Common Name English
(6E)-9-Methyl-3-oxa-9,12-diaza-1(4,2)-pyrimidina-2,11(1,3)-dibenzenacyclododecaphan-6-ene 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
Common Name English
ZOTIRACICLIB CITRATE [USAN]
Common Name English
Code System Code Type Description
CAS
1204918-73-9
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
EVMPD
SUB193166
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
CAS
1321626-26-9
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
USAN
FG-157
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
NCI_THESAURUS
C105851
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
PUBCHEM
87368269
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
SMS_ID
100000177624
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
FDA UNII
3VF50SU4RZ
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY
MANUFACTURER PRODUCT INFORMATION
TG-02 CITRATE
Created by admin on Fri Dec 15 20:24:47 GMT 2023 , Edited by admin on Fri Dec 15 20:24:47 GMT 2023
PRIMARY SB1317(TG-02) is a novel small molecule potent CDK2/JAK2/FLT3 inhibitor with IC50s of 13/73/56 nM respectively.; IC50 Value: 13/73/56 nM(CDK2/JAK2/FLT3); Target: CDK2/JAK2/FLT3; TG02 is a novel pyrimidine-based multi-kinase inhibitor that inhibits CDKs 1, 2, 7 and 9 together with JAK2 and FLT3. It dose-dependently inhibits signaling pathways downstream of CDKs, JAK2 and FLT3 in cancer cells with the main targets being CDKs. TG02 is anti-proliferative in a broad range of tumor cell lines, inducing G1 cell cycle arrest and apoptosis. In vivo, TG02 exhibits favorable pharmacokinetics after oral dosing in xenograft models and accumulates in tumor tissues, inducing an effective blockade of both CDK and STAT signaling. TG02 induces tumor regression after oral dosing on both daily and intermittent schedules in a murine model of mutant-FLT3 leukemia (MV4-11) and prolongs survival in a disseminated AML model with wild-type FLT3 and JAK2 (HL-60). TG02 is active in various models of leukemia and provide a rationale for the ongoing clinical evaluation of TG02 in patients with advanced leukemias.