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Home > Products > Agrochemicals > Agrochemical Intermediates > Methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Methyl 2,4-dihydroxy-3,6-dimethylbenzoate structure, CAS 4707-47-5

Methyl 2,4-dihydroxy-3,6-dimethylbenzoate

CAS Number4707-47-5

SynonymsQR CQ B1 E1 DVO1; EINECS 225-193-0; METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE; Methyl atratate; MFCD00157202; Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; 2,4-Dihydroxy-3,6-dimethylbenzoic acid methyl ester

Molecular FormulaC10H12O4

Molecular Weight196.20

Purity≥99.0 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point360.7±22.0 °C at 760 mmHg

Melting Point144-146 °C

Flash Point

Appearancecrystals

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-9031130 Purity: ≥99.0 (HPLC)%
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Quality Control of [ 4707-47-5 ] Purity: ≥99.0 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number4707-47-5
Catalog No.2A-9031130
Chinese Name2,4-二羟基-3,6-二甲基苯甲酸甲酯
SynonymsQR CQ B1 E1 DVO1; EINECS 225-193-0; METHYL 2,4-DIHYDROXY-3,6-DIMETHYLBENZOATE; Methyl atratate; MFCD00157202; Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester; 2,4-Dihydroxy-3,6-dimethylbenzoic acid methyl ester
Molecular FormulaC10H12O4
Molecular Weight196.20
Purity≥99.0 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point360.7±22.0 °C at 760 mmHg
Melting Point144-146 °C
Appearancecrystals
Storage ConditionStore at room temperature, away from light, in a v
ApplicationMethyl atrarate is a specific androgen receptor (AR) antagonist with anti-inflammatory and anti-cancer effects. Atropine acid inhibits endogenous prostate-specific antigen gene expression in LNCaP and
HTC2918199090
MDL NumberMFCD00157202
SMILESO(C)C(=O)c1c(c(c(cc1C)O)C)O
InChI1S/C10H12O4/c1-5-4-7(11)6(2)9(12)8(5)10(13)14-3/h4,11-12H,1-3H3
InChI KeyUUQHKWMIDYRWHH-UHFFFAOYSA-N
NACRES CodeNA.22
UNSPSC12352108
Hazard Symbolstransportation
MSDSmsds/31130_1_4707_47_5.pdf
BioactivityAtraric acid (Methyl atrarate) is a specific androgen receptor (AR) antagonist with anti-inflammatory and anticancer effects. Atraric acid represses the expression of the endogenous prostate specific antigen gene in both LNCaP and C4-2 cells. Atraric acid can also inhibit the synthesis of NO and cytokine, and suppress the MAPK-NFκB signaling pathway. Atraric acid can be used to research prostate diseases and inflammatory diseases[1][2]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> NO Synthase Signaling Pathways >> MAPK/ERK Pathway >> p38 MAPK Research Areas >> Inflammation/Immunology Signaling Pathways >> Others >> Androgen Receptor Target Androgen receptor, NO synthesis, MAPK-NFκB pathway[1][2] In Vitro Atraric acid (10 μM; CV1 cells) represses the transactivation function mediated by Dihydrotestosterone-induced human AR[1]. Atraric acid (10 μM; PCa cells) inhibits the expression of the PSA gene in both androgen-dependent and androgen-independent PCa cells[1]. Atraric acid (1-300 μM; 24 h) dose-dependently inhibits pro-inflammatory cytokine, nitric oxide, prostaglandin E2 in LPS-stimulated RAW264.7 cells, but does not influence the cell viability[2]. Atraric acid (100 and 300 μM; 18 h or 4 h) downregulates the expression of phosphorylated IκB, extracellular signal-regulated kinases (ERK) and nuclear factor kappa B (NFκB) signaling pathway to exhibit anti-inflammatory effects in LPS-stimulated RAW264.7 cells[2]. Cell Viability Assay[2] Cell Line: RAW264.7 cells Concentration: 1-300 μM Incubation Time: 24 h Result: Did not influence the cell viability. Western Blot Analysis[2] Cell Line: RAW264.7 cells Concentration: 100 and 300 μM Incubation Time: 18 h or 4 h Result: Inhibited LPS-Induced expression of iNOS and COX-2 in a dose-dependent manner. Suppressed LPS-stimulated phosphorylation of the Nfκb signaling pathway. In Vivo Atraric acid (10, 30 mg/kg; i.p.; single dosage) inhibits the production of pro-inflammatory cytokines and reduces pathological damages in LPS-induced endotoxin shock mice[2]. Animal Model: Female BALB/c mice (7 weeks old, 17-20 g; LPS-induced endotoxin shock)[2] Dosage: 10, 30 mg/kg Administration: i.p.; single dosage Result: Inhibited the production of pro-inflammatory cytokines. Reduced pathological damages such as vasodilation and bleeding. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 360.7±22.0 °C at 760 mmHg Melting Point 141-146 °C(lit.) Molecular Formula C10H12O4 Molecular Weight 196.200 Flash Point 143.9±15.8 °C Exact Mass 196.073563 PSA 66.76000 LogP 2.84 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.570 InChIKey UUQHKWMIDYRWHH-UHFFFAOYSA-N SMILES COC(=O)c1c(C)cc(O)c(C)c1O
Use ofProperties Name Veramoss Synonym More Synonyms Atraric acid Biological Activity Related Catalog Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> NO Synthase Signaling Pathways >> MAPK/ERK Pathway >> p38 MAPK Research Areas >> Inflammation/Immunology Signaling Pathways >> Others >> Androgen Receptor Androgen receptor, NO synthesis, MAPK-NFκB pathway[1][2] Chemical & Physical Properties Molecular Formula C10H12O4 Exact Mass 196.073563 PSA 66.76000 Index of Refraction 1.570 InChIKey UUQHKWMIDYRWHH-UHFFFAOYSA-N
Tax Rebate9.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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