6-Bromo-2-hydroxy-3-methoxybenzaldehyde - CAS 20035-41-0

Name: 6-Bromo-2-hydroxy-3-methoxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015472
Product Name:	6-Bromo-2-hydroxy-3-methoxybenzaldehyde
CAS:	20035-41-0
Synonyms:	IRE1-IN-VII

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-2-hydroxy-3-methoxybenzaldehyde
Description:	6-Bromo-2-hydroxy-3-methoxybenzaldehyde is an IRE-1α inhibitor with IC50 of 0.08 μM.
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC1=C(C(=C(C=C1)Br)C=O)O
InChI:	InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
InChI Key:	JUPJZUTYDWXZAQ-UHFFFAOYSA-N
Boiling Point:	282.1 °C at 760 mmHg
Density:	1.653 g/cm³
MDL:	MFCD00046152
LogP:	1.97580

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021173960-A1	Treatment of carm1-overexpressing and/or arid1a mutant cancers with ire-1/xbp-1 inhibitors	20200228
EP-3854455-A1	Ttp phosphorylation as a biomarker in targeted therapy	20191211
WO-2021083959-A1	Methods and compositions for treating uveal melanoma	20191029
WO-2020118086-A1	Compositions and methods for regulating inflammation	20181205
EP-3880209-A1	Compositions and methods for regulating inflammation	20181205

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.95786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1