Basic information
- CAS
1031195-19-3- Standard SMILES
CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)CC1- InChIKey
ZQJTYRXKAZFWPK-UHFFFAOYSA-N- Molecular formula
- C21H21N3O3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.15829154
Names & identifiers
- Preferred name
- 1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one
- IUPAC
- 1-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
- English name
- E1231
- Molecular formula
- C21H21N3O3
- Molecular weight
- 363.41
Names & synonyms
1031195-19-31-{4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl}ethan-1-one1-(4-(2-(5-Methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethan-1-one1-(4-[2-(5-Methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl)ethan-1-oneRefChem:424268862-668-7E12311-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethanone1-(4-(2-(5-methylfuran-2-yl)quinoline-4-carbonyl)piperazin-1-yl)ethanoneMLS001138980orb1298365CHEMBL1397457
Show more names
E1231,E-1231Ethanone, 1-[4-[[2-(5-methyl-2-furanyl)-4-quinolinyl]carbonyl]-1-piperazinyl]-
DTXSID401364235E1231, 10 mM in DMSOHMS3009H09GRB19519EBC-54066EX-A11877MFCD10627184AKOS007981797
Database identifiers
- CAS
1031195-19-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Boiling point
- 605.8 · 605.8±55.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.61(Predicted)
- form
- Solid
- color
- Off-white to light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionE1231 is a SIRT1 activator which protects from experimental atherosclerosis and lowers plasma cholesterol and triglycerides by enhancing ABCA1 expression.
UsesE1231 is an orally active activator of Sirtuin 1 (SIRT1) (EC50=0.83 μM), to modulate cholesterol and lipid metabolism. E1231 interactes with SIRT1 (KD=9.61 μM) and deacetylated liver X receptor-alpha (LXRα), and increases ATP-binding cassette transporter A1 (ABCA1) expression. E1231 also reduces atherosclerotic plaque development in ApoE-/- mice model. E1231 can be used for research in cholesterol and lipid disorder-related diseases[1].
Suppliers21 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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