AI-10-49

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H22F6N6O5
Molecular Weight	660.5233
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

FC(F)(F)OC1=CC=C2NC(=NC2=C1)C3=NC=C(OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=CC(OC(F)(F)F)=C6)C=C3

InChI

InChIKey=WJBSSBFGPKTMQQ-UHFFFAOYSA-N

InChI=1S/C30H22F6N6O5/c31-29(32,33)46-17-1-5-21-25(13-17)41-27(39-21)23-7-3-19(15-37-23)44-11-9-43-10-12-45-20-4-8-24(38-16-20)28-40-22-6-2-18(14-26(22)42-28)47-30(34,35)36/h1-8,13-16H,9-12H2,(H,39,41)(H,40,42)

HIDE SMILES / InChI

Molecular Formula	C30H22F6N6O5
Molecular Weight	660.5233
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Core-binding factor subunit beta 2 Target ID: Q13951 Gene ID: 865.0 Gene Symbol: CBFB Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25678665	Inhibitor 8297

PubMed

Title	Date	PubMed
Chemical biology. A small-molecule inhibitor of the aberrant transcription factor CBFβ-SMMHC delays leukemia in mice.	2015 Feb 13	25678665

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:03:41 UTC 2023` Edited by `admin` on `Sat Dec 16 17:03:41 UTC 2023`
Record UNII	UBW5XL5U9W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AI-10-49

Common Name

English

1H-BENZIMIDAZOLE, 2,2-(OXYBIS(2,1-ETHANEDIYLOXY-5,2-PYRIDINEDIYL))BIS(6-(TRIFLUOROMETHOXY)-

Systematic Name

English

2,2'-[Oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[6-(trifluoromethoxy)-1H-benzimidazole]

Systematic Name

English

2,2-(OXYBIS(2,1-ETHANEDIYLOXY-5,2-PYRIDINEDIYL))BIS(6-(TRIFLUOROMETHOXY)-1H-BENZIMIDAZOLE)

Systematic Name

English

Code System Code Type Description

CAS

1256094-72-0