CE-245677

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H22Cl2N6O3
Molecular Weight	513.376
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(NC(=O)NC2=C(Cl)C=C(Cl)C=C2)C=C(C=C1)C(=O)C3=CN(C(C)C)C4=NC=NC(N)=C34

InChI

InChIKey=VFCRSIORGUNNGT-UHFFFAOYSA-N

InChI=1S/C24H22Cl2N6O3/c1-12(2)32-10-15(20-22(27)28-11-29-23(20)32)21(33)13-4-7-19(35-3)18(8-13)31-24(34)30-17-6-5-14(25)9-16(17)26/h4-12H,1-3H3,(H2,27,28,29)(H2,30,31,34)

HIDE SMILES / InChI

Molecular Formula	C24H22Cl2N6O3
Molecular Weight	513.376
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 `Sat Dec 16 08:00:47 GMT 2023` Edited by `admin` on `Sat Dec 16 08:00:47 GMT 2023`
Record UNII	GMH17J9LHL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CE-245677

Common Name

English

CE 245677 [WHO-DD]

Common Name

English

UREA, N-(5-((4-AMINO-7-(1-METHYLETHYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)CARBONYL)-2-METHOXYPHENYL)-N'-(2,4-DICHLOROPHENYL)-

Systematic Name

English

1-(5-(4-AMINO-7-ISOPROPYL-PYRROLO(2,3-D)PYRIMIDINE-5-CARBONYL)-2-METHOXY-PHENYL)-3-(2,4-DICHLOROPHENYL)UREA

Systematic Name

English

Code System Code Type Description

FDA UNII

GMH17J9LHL

Created by admin on Sat Dec 16 08:00:47 GMT 2023 , Edited by admin on Sat Dec 16 08:00:47 GMT 2023

PRIMARY

ChEMBL

CHEMBL3545120

Created by admin on Sat Dec 16 08:00:47 GMT 2023 , Edited by admin on Sat Dec 16 08:00:47 GMT 2023

PRIMARY

CAS

717899-97-3

Created by admin on Sat Dec 16 08:00:47 GMT 2023 , Edited by admin on Sat Dec 16 08:00:47 GMT 2023

PRIMARY

PUBCHEM

16048643

Created by admin on Sat Dec 16 08:00:47 GMT 2023 , Edited by admin on Sat Dec 16 08:00:47 GMT 2023

PRIMARY

Related Record Type Details


					GMH17J9LHL

CE-245677

ACTIVE MOIETY

Comments:

In summary, detailed SAR studies were executed on the (4-amino-7H-pyrrolo(2,3-d)pyrimidin-5-yl)(phenyl)methanone template, producing potent inhibitors of Tie2 with IC50s ranging from 5-100 nM, identifying CE-245,677 and PF-371,989 for further preclinical study. Design, synthesis, inhibitor activity, selectivity profile, ADME properties as well as complete inhibitor chemical structures of analogs leading to the identification to CE-245,677 will be presented.