ZOTIRACICLIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H24N4O
Molecular Weight	372.4629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ZOTIRACICLIB

Structure Search

SMILES

CN1C\C=C\CCOC2=CC(=CC=C2)C3=CC=NC(NC4=CC=CC(C1)=C4)=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	372.4629
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclin-dependent kinase 2/cyclin A 8 Target ID: CHEMBL2094128 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8297		13.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8297		56.0 nM [IC50]
Tyrosine-protein kinase JAK2 55 Target ID: CHEMBL2971 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8297		73.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:53:48 GMT 2023` Edited by `admin` on `Sat Dec 16 17:53:48 GMT 2023`
Record UNII	40D08182TT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ZOTIRACICLIB

Official Name

English

Zotiraciclib [WHO-DD]

Common 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

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 Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

Code System Code Type Description

ChEMBL

CHEMBL1944698

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

WIKIPEDIA

Zotiraciclib

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

USAN

FG-156

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

SMS_ID

100000177623

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

FDA UNII

40D08182TT

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

CAS

1204918-72-8

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

CAS

937270-47-8

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

EVMPD

SUB193165

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

NCI_THESAURUS

C171725

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

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MANUFACTURER PRODUCT INFORMATION

TG-02

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

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 Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

PUBCHEM

16739650

Created by admin on Sat Dec 16 17:53:49 GMT 2023 , Edited by admin on Sat Dec 16 17:53:49 GMT 2023

PRIMARY

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					GL209F9TZS

TYROSINE-PROTEIN KINASE JAK2

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Amount:


					U3P2YH5TIJ

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CYCLIN-DEPENDENT-LIKE KINASE 5

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ACTIVE MOIETY

Amount: