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L1289

Sigma-Aldrich

Lavendustin C

≥97%, solid

Synonym(s):

N-(2′,5′-Dihydroxybenzyl)-5-aminosalicylic acid, Compound 5, HDBA, [2-Hydroxy-5-[N-(2′,5′-dihydroxybenzyl)amino]benzoic acid

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About This Item

Empirical Formula (Hill Notation):
C14H13NO5
CAS Number:
125697-93-0
Molecular Weight:
275.26
MDL number:
MFCD00153955
UNSPSC Code:
12352200
PubChem Substance ID:
24896277

assay

≥97%

form

solid

solubility

DMSO: soluble
ethanol: soluble

storage temp.

−20°C

SMILES string

OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O

InChI

1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)

InChI key

LULATDWLDJOKCX-UHFFFAOYSA-N

Gene Information

human ... EGFR(1956) , ERBB2(2064) , LCK(3932)

Biochem/physiol Actions

Potent inhibitor of protein tyrosine kinases.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

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Bioorganic & medicinal chemistry letters, 20(13), 3930-3935 (2010-06-24)
Lavendustin-mimetic small molecules modifying the linker -CH(2)-NH- with an 1,2,3-triazole ring have been synthesized via a click chemistry. Two pharmacophoric fragments of lavendustin were varied to investigate chemical space and the auxophoric -CH(2)-NH- was altered to an 1,2,3-triazole for rapid
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