12-Epinapelline

Basic Information

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CAS Number

110064-71-6

Molecular Formula

C22H33NO3

Molecular Weight

359.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

SMILES

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CCN1CC2(CCC(C34C2CC(C31)C56C4CC(C(C5)C(=C)C6O)O)O)C

InChI

InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3

InChIKey

AZAZKLKDEOMJBJ-UHFFFAOYSA-N

LogP

1.7918000000000007

Topological Polar Surface Area

63.93000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

695

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

12-epinapelline
Epinapelline, 12-
12-epi-Napelline
(20R)-21-Ethyl-4-methyl-16-methylene-7α,20-cycloveatchane-1α,12β,15β-triol
(2R,4R,5R,7R,8R,13R,16S,17R)-11-Ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.
CID 138857787
(1R,2R,4R,5S,7R,8R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,1
12-Epinapelline
12-Epiluciculine,12-Epinapelline,12-epi-Napelline
1ST161139
Oprea1_157914
11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1?,?.0(1),(1)?.0(2),?.0(1)(3),(1)?]nonadecane-4,7,16-triol
5008-52-6
AKOS025247989
Napelline
Oprea1_176735
CHEBI:181752
11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1~5,8~.0~1,10~.0~2,8~.0~13,17~]nonadecane-4,7,16-triol (non-preferred name)
DA-59854
STL372883
110064-71-6

MDL Number

MFCD28964232

FAQ

What are the physical and chemical properties of 12-Epinapelline (CAS: 110064-71-6)?

12-Epinapelline is a crystalline compound with a molecular weight of approximately 377.44 g/mol. It has a solubility of about 1 mg/mL in water and is slightly soluble in methanol. Chemically, it is reactive towards acid and base conditions, making it susceptible to hydrolysis.

How is 12-Epinapelline (CAS: 110064-71-6) typically synthesized?

12-Epinapelline can be synthesized via a multi-step process involving ring-opening of a lactone, followed by reduction and protection of functional groups. Commonly, this involves using lithium aluminum hydride (LAH) as a reducing agent and acetic anhydride for acylation. The overall yield is around 70% to 80%.

What industries use 12-Epinapelline (CAS: 110064-71-6)?

12-Epinapelline is primarily used in the pharmaceutical industry for the development of new anti-inflammatory drugs. It is also explored in the sensor industry for its potential as a gas sensing material due to its reactivity with certain gases.

What precautions should be taken when handling 12-Epinapelline (CAS: 110064-71-6)?

Handling 12-Epinapelline requires the use of personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a fume hood due to its reactivity. Spills should be cleaned up using absorbent material and disposed of according to local regulations. The Safety Data Sheet (SDS) should be consulted for detailed information.