Basic information
- CAS
125697-92-9- Standard SMILES
O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O- InChIKey
ULTTYPMRMMDONC-UHFFFAOYSA-N- Molecular formula
- C21H19NO6
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.12123733
Overview
5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid is an aromatic amine.
Names & identifiers
- Preferred name
- Lavendustin A
- IUPAC
- 5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
- English name
- LAVENDUSTIN A
- Molecular formula
- C21H19NO6
- Molecular weight
- 381.38
Names & synonyms
Lavendustin A125697-92-9RG14355RG-143553Y0G32G2RVNSC-678027Benzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-DTXSID00154855NSC6780275-amino-((N-2,5-dihydroxybenzyl)-N'-2-hydroxybenzyl)aminosalicylic acid5-[(2,5-dihydroxyphenyl)methyl-[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acidBenzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
Show more names
Lavendustin A,98%LAVENDUSTIN A USP/EP/BPLavendustin A, tyrosine kinase inhibitorLavendustin A - CAS 125697-92-9 - Calbiochem5-AMINO-[(N-2,5-DIHYDROXYBENZYL)-N'-2-HYDROXYBENZYL]SALICYLIC ACID5-[(2,5-Dihydroxybenzyl)(2-hydroxybenzyl)amino]-2-hydroxybenzoic acid
5-((2,5-dihydroxyphenyl)methyl-((2-hydroxyphenyl)methyl)amino)-2-hydroxybenzoic acidRefChem:152552DTXCID60773465-(((2,5-Dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy Benzoic AcidBenzoic acid, 5-(((2, 5-dihydroxyphenyl)methyl)((2-hydroxyphenyl)methyl)amino)-2-hydroxy-5-[[(2,5-Dihydroxyphenyl)methyl][(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acidCHEMBL103552NSC 678027
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Melting point
- 205 · 205-215 °C
- Boiling point
- 741.7 · 741.7±60.0 °C(Predicted)
- Density
- 1.495 · 1.495±0.06 g/cm3(Predicted)
- RTECS
- 8578950 · DG8578950
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- crystalline
- pka
- 2.31 · 2.31±0.10(Predicted)
- color
- Yellow to brown
- Sensitive
- Air Sensitive
- Stability
- Moisture Sensitive: Hygroscopic
- InChI
- 1S/C21H19NO6/c23-16-6-8-19(25)14(9-16)12-22(11-13-3-1-2-4-18(13)24)15-5-7-20(26)17(10-15)21(27)28/h1-10,23-26H,11-12H2,(H,27,28)
- InChIKey
- ULTTYPMRMMDONC-UHFFFAOYSA-N
- SMILES
- N(Cc3c(ccc(c3)O)O)(Cc2c(cccc2)O)c1cc(c(cc1)O)C(=O)O
- CAS DataBase Reference
- 125697 · 125697-92-9(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29225000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
DescriptionLavendustin A is a selective inhibitor of epidermal growth factor (EGF) receptor-associated tyrosine kinase (IC50 = 11 nM) that was first isolated from a Streptomyces culture filtrate. It does not inhibit protein kinase A (PKA), PKC, or PI3K (IC50s > 100 μM). It has been used to differentiate rat mesenchymal stem cells, to inhibit NMDA-stimulated cGMP production, and to inhibit VEGF-induced angiogenesis.
UsesA potent tyrosine kinase inhibitor. Inhibition is competitive with ATP and is noncompetitive with the peptide.
Suppliers45 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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