Basic information
- CAS
125697-93-0- Standard SMILES
O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O- InChIKey
LULATDWLDJOKCX-UHFFFAOYSA-N- Molecular formula
- C14H13NO5
- Average molar mass
- 275.26 g/mol
- Monoisotopic mass
- 275.07937252
Overview
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid is an aromatic amine.
Names & identifiers
- Preferred name
- Lavendustin C
- IUPAC
- 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid
- English name
- LAVENDUSTIN C
- Molecular formula
- C14H13NO5
- Molecular weight
- 275.26
Names & synonyms
lavendustin c125697-93-0HJM06BIW5MNSC-6662512-Hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acidBenzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl]amino]-2-hydroxy-5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acidDTXSID601548562-Hydroxy-5-(2,5-dihydrobenzyl) aminobenzoic acidBenzoic acid, 5-(((2,5-dihydroxyphenyl)methyl)amino)-2-hydroxy-5-((2,5-dihydroxyphenyl)methylamino)-2-hydroxybenzoic acidRefChem:152554
Show more names
COMPOUND 5NSC 666251Lavendustin C (HDBA)lavendustin C, 10 mM in DMSO5-(2,5-DIHYDROXYBENZYLAMINO)SALICYLIC ACID5-(N-2,5-DIHYDROXYBENZYL)AMINOSALICYLIC ACID5-(N-2',5'-DIHYDROXYBENZYL)AMINOSALICYLIC ACIDN-(2',5'-DIHYDROXYBENZYL)-5-AMINOSALICYLIC ACID
DTXCID1077347HBABA5-((2,5-Dihydroxybenzyl)amino)-2-hydroxybenzoic acid5-(2,5-Dihydroxybenzylamino)-2-hydroxybenzoic acidCHEMBL3196205-[[(2,5-dihydroxyphenyl)methyl]amino]-2-hydroxy-benzoic acidNSC666251HDBA
Database identifiers
- CAS
125697-93-0- PubChem CID
- 3896
- DTXSID
DTXSID60154856- ChEMBL
CHEMBL319620- ChEBI
CHEBI:94752- UNII
- HJM06BIW5M
- EC Number
- 635-029-3
- Nikkaji
- J568.039E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 193 · 193-195°C dec.
- Boiling point
- 597.5 · 597.5±50.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- solid
- pka
- 2.32 · 2.32±0.10(Predicted)
- color
- Light Beige to Brown
- Stability
- Hygroscopic
- FDA UNII
- 6 BIW5M · HJM06BIW5M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionLavendustin C, a derivative of a Streptomyces griseolavendus butyl acetate extract, is a potent inhibitor of epidermal growth factor (EGF) receptor-associated tyrosine kinase with an IC50 value of 0.012 μM. Lavendustin C also inhibits pp60c-src(+) kinase and Ca2+ calmodulin-dependent kinase II with IC50 values of 0.5 and 0.2 μM, respectively. At a concentration of 10-150 μM, lavendustin C inhibits tyrosine kinase-associated neutrophil degranulation and superoxide generation.
UsesShows potent tyrosine kinase inhibitory activity.
Suppliers40 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
济南药研药物化学有限公司[email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
天津凯芾医药科技有限公司18081075745 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Additional notes
DefinitionChEBI: 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid is an aromatic amine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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