| Identification | Back Directory | [Name]
MOLLUGIN | [CAS]
55481-88-4 | [Synonyms]
MOLLUGIN
Rubimaillin
MOLLUGIN(SH)
Mollugin/rubiMaillin
RUBIMAILLIN; MOLLUGIN
6-hydroxy-2, 2-dimethyl-, methylester
Mollugin, 98%, from Rubia cordifolia L.
2H-Naphtho[1,2-b]pyran-5-carboxylic acid
Methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
Methyl 6-Hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate
6-Hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylic Acid Methyl Ester
2-DiMethyl-6-hydroxy-2H-naphtho[1,2-b]pyran-5-carboxylic acid Methyl ester
2,2-Dimethyl-6-hydroxy-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester
6-Hydroxy-2,2-dimethyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid methyl ester
2H-Naphtho[1,2-b]pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester | [EINECS(EC#)]
683-209-5 | [Molecular Formula]
C17H16O4 | [MDL Number]
MFCD02752331 | [MOL File]
55481-88-4.mol | [Molecular Weight]
284.31 |
| Chemical Properties | Back Directory | [Melting point ]
132～134℃ | [Boiling point ]
453.2±45.0 °C(Predicted) | [density ]
1.239±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Solid | [pka]
8.40±0.40(Predicted) | [color ]
Yellow to Green | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3 | [InChIKey]
VLGATXOTCNBWIT-UHFFFAOYSA-N | [SMILES]
C12=C3C(C=CC=C3)=C(O)C(C(OC)=O)=C1C=CC(C)(C)O2 |
| Safety Data | Back Directory | [Safety Statements ]
24/25 | [WGK Germany ]
WGK 3 | [HS Code ]
29329990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Derived from the dried root of Rubia cordifolia L. | [Uses]
Mollugin is an anti-tumor agent inducing apoptosis and autophagy in various cancer models. | [Definition]
ChEBI: Rubimaillin is a benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. It has a role as a plant metabolite, an acyl-CoA:cholesterol acyltransferase 2 inhibitor, a NF-kappaB inhibitor, an antineoplastic agent, an apoptosis inducer, a neuroprotective agent and an anti-inflammatory agent. It is a benzochromene, a methyl ester and a member of phenols. | [Biological Activity]
Mollugin displays inhibitory activity in arachidonic acid- and collagen-induced platelet aggregation. Mollugin has been reported to inhibit cancer cell proliferationand has other biological activities including anti-inflammatory and apoptotic effects. | [in vivo]
Mollugin (0-75 mg/kg, Orally, three times per week for 36 days) inhibits growth of HeLa cells in a xenograft tumor model[1]. | Animal Model: | BALB/c female athymic nude mice (six-week-old, subcutaneously injected with 0.2 mL HeLa cells)[1] | | Dosage: | 0, 25 and 75 mg/kg | | Administration: | Orally, three times per week for 36 days | | Result: | Suppressed tumor growth, whereas the body weight did not change. Significantly reduced the protein expression of p-p65 and COX-2 in the tumors. |
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| Company Name: |
China Langchem Inc.
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| Telephone: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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