ChemicalBook--->CAS DataBase List--->477-85-0

477-85-0

477-85-0 Structure

477-85-0 Structure
IdentificationBack Directory
[Name]

Obtusifolin
[CAS]

477-85-0
[Synonyms]

Obtusifolin
Obtusifolin (anthraquinone)
Obtusifolin ISO 9001:2015 REACH
2,8-Dihydroxy-1-Methoxy-3-Methylanthraquinone
Anthraquinone, 2,8-dihydroxy-1-methoxy-3-methyl-
2,8-Dihydroxy-1-methoxy-3-methyl-9,10-anthracenedione
2,8-dihydroxy-1-methoxy-3-methylanthracene-9,10-dione
9,10-Anthracenedione, 2,8-dihydroxy-1-methoxy-3-methyl-
[EINECS(EC#)]

805-819-4
[Molecular Formula]

C16H12O5
[MDL Number]

MFCD18452296
[MOL File]

477-85-0.mol
[Molecular Weight]

284.26
Chemical PropertiesBack Directory
[Melting point ]

242-243℃
[Boiling point ]

528.0±50.0 °C(Predicted)
[density ]

1.448±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[solubility ]

DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml
[form ]

A solid
[pka]

6.60±0.20(Predicted)
[color ]

Yellow to orange
[InChI]

1S/C16H12O5/c1-7-6-9-12(16(21-2)13(7)18)15(20)11-8(14(9)19)4-3-5-10(11)17/h3-6,17-18H,1-2H3
[InChIKey]

NYRXUBDGDSRBGB-UHFFFAOYSA-N
[SMILES]

OC1=C(C(C(C(OC)=C(O)C(C)=C2)=C2C3=O)=O)C3=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312+P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Orange-yellow crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Cassia seed.
[Uses]

Obtusifolin, isolated from the seeds of Cassia obtusifolia, regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via inhibiting NF-kB pathway[1]. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein[2].
[Definition]

ChEBI: Obtusifolin is a dihydroxyanthraquinone.
[General Description]

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
[IC 50]

NF-κB
[References]

[1] Choi BS, et al. Obtusifolin isolated from the seeds of Cassia obtusifolia regulates the gene expression and production of MUC5AC mucin in airway epithelial cells via affecting NF-κB pathway. Phytother Res. 2019 Apr;33(4):919-928. DOI:10.1002/ptr.6284
[2] Hsu YL, et al. Obtusifolin suppresses phthalate esters-induced breast cancer bone metastasis by targeting parathyroid hormone-related protein. J Agric Food Chem. 2014 Dec 10;62(49):11933-40. DOI:10.1021/jf5042905
Spectrum DetailBack Directory
[Spectrum Detail]

Obtusifolin(477-85-0)1HNMR
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