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Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N4O
Molecular Weight 372.4637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOTIRACICLIB

SMILES

CN1C/C(/[H])=C(\[H])/CCOc2cccc(c2)-c3ccnc(Nc4cccc(c4)C1)n3

InChI

InChIKey=VXBAJLGYBMTJCY-NSCUHMNNSA-N
InChI=1S/C23H24N4O/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/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+

HIDE SMILES / InChI

Molecular Formula C23H24N4O
Molecular Weight 372.4637
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
13.0 nM [IC50]
56.0 nM [IC50]
73.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Jun 26 01:14:44 UTC 2021
Edited
by admin
on Sat Jun 26 01:14:44 UTC 2021
Record UNII
40D08182TT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZOTIRACICLIB
INN   USAN  
Official Name English
SB-1317 FREE BASE
Common Name English
(6E)-9-METHYL-3-OXA-9,12-DIAZA-1(4,2)-PYRIMIDINA-2,11(1,3)-DIBENZENACYCLODODECAPHAN-6-ENE
Common Name English
ZOTIRACICLIB [INN]
Common Name English
ZOTIRACICLIB [USAN]
Common Name English
TG-02
Common Name English
ZOTIRACICLIB [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-, (16E)-
Systematic Name English
EX 45
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 710719
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
Code System Code Type Description
ChEMBL
CHEMBL1944698
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
FDA UNII
40D08182TT
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
CAS
1204918-72-8
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
CAS
937270-47-8
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
EVMPD
SUB193165
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
NCI_THESAURUS
C171725
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
MANUFACTURER PRODUCT INFORMATION
TG-02
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY 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.
INN
11186
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
PUBCHEM
16739650
Created by admin on Sat Jun 26 01:14:44 UTC 2021 , Edited by admin on Sat Jun 26 01:14:44 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY