5,7-Dibromoisatin - CAS 6374-91-0

Catalog:	BB032256
Product Name:	5,7-Dibromoisatin
CAS:	6374-91-0
Synonyms:	5,7-dibromo-1H-indole-2,3-dione

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Computed Properties

IUPAC Name:	5,7-dibromo-1H-indole-2,3-dione
Description:	5,7-Dibromoisatin (CAS# 6374-91-0) is a useful research chemical.
Molecular Weight:	304.92
Molecular Formula:	C8H3Br2NO2
Canonical SMILES:	C1=C(C=C2C(=C1Br)NC(=O)C2=O)Br
InChI:	InChI=1S/C8H3Br2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChI Key:	QCTZEHIRXZGGSD-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD00034382
LogP:	2.48440

Publication Number	Title	Priority Date
WO-2020219531-A1	Methods and compositions relating to inhibition of aldehyde dehydrogenases for treatment of cancer	20190422
WO-2020183307-A1	Dihydro-spiro[indoline-3:1'-isoquinolin]-2-ones and their analogues and derivatives and methods of treating cancer and other diseases	20190308
US-10611786-B2	Manganese (III) catalyzed Câ€"H aminations	20171009
US-2019106448-A1	Manganese (iii) catalyzed c--h aminations	20171009
CN-105541808-A	Metronidazole-isatin type compound as well as preparation method and application thereof	20160204

PMID	Publication Date	Title	Journal
22496857	20120101	Modulation of GSK-3β activity in Venezuelan equine encephalitis virus infection	PloS one
21920762	20111015	Synthesis and biological evaluation of a novel class of isatin analogs as dual inhibitors of tubulin polymerization and Akt pathway	Bioorganic & medicinal chemistry
21306903	20110301	Synthesis and hydrolytic evaluation of acid-labile imine-linked cytotoxic isatin model systems	Bioorganic & medicinal chemistry
20056518	20100301	QSAR study of isatin analogues as in vitro anti-cancer agents	European journal of medicinal chemistry
18182300	20080315	N-phenethyl and N-naphthylmethyl isatins and analogues as in vitro cytotoxic agents	Bioorganic & medicinal chemistry

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	304.851
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	302.85305
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1