BIX-01294 trihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H38N6O2.3ClH
Molecular Weight	600.023
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.Cl.COC1=CC2=C(C=C1OC)C(NC3CCN(CC4=CC=CC=C4)CC3)=NC(=N2)N5CCCN(C)CC5

InChI

InChIKey=FMURUEPQXKJIPS-UHFFFAOYSA-N

InChI=1S/C28H38N6O2.3ClH/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21;;;/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31);3*1H

HIDE SMILES / InChI

Molecular Formula	C28H38N6O2
Molecular Weight	490.6403
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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	Potency
Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 5 Target ID: CHEMBL6031 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20614940	Inhibitor 8297	34.0 nM [IC50]
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 7 Target ID: CHEMBL6032 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19891491	Inhibitor 8297	110.0 nM [IC50]
Histone-lysine N-methyltransferase EHMT2 2 Target ID: Q96KQ7\|\|\|Q96MH5 Gene ID: 10919.0 Gene Symbol: EHMT2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23011794	Inhibitor 8297	1.9 µM [IC50]
Histone-lysine N-methyltransferase EHMT1 2 Target ID: Q9H9B1 Gene ID: 79813.0 Gene Symbol: EHMT1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19219047	Inhibitor 8297	0.7 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:45:10 GMT 2023` Edited by `admin` on `Sat Dec 16 18:45:10 GMT 2023`
Record UNII	57HBY4AC4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIX-01294 trihydrochloride

Common Name

English

4-Quinazolinamine, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6,7-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-, hydrochloride (1:3)

Systematic Name

English

BIX01294 trihydrochloride

Common Name

English

N-(1-benzyl-4-piperidinyl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-quinazolinamine trihydrochloride

Systematic Name

English

Code System Code Type Description

CAS

1392399-03-9

Created by admin on Sat Dec 16 18:45:10 GMT 2023 , Edited by admin on Sat Dec 16 18:45:10 GMT 2023

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PUBCHEM

46945860

Created by admin on Sat Dec 16 18:45:10 GMT 2023 , Edited by admin on Sat Dec 16 18:45:10 GMT 2023

PRIMARY

FDA UNII

57HBY4AC4W

Created by admin on Sat Dec 16 18:45:10 GMT 2023 , Edited by admin on Sat Dec 16 18:45:10 GMT 2023

PRIMARY

EPA CompTox

DTXSID701017374

Created by admin on Sat Dec 16 18:45:10 GMT 2023 , Edited by admin on Sat Dec 16 18:45:10 GMT 2023

PRIMARY

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