Methyl 4,4-Dimethyl-2-oxocyclohexanecarboxylate - CAS 32767-46-7
Catalog: |
BB059758 |
Product Name: |
Methyl 4,4-Dimethyl-2-oxocyclohexanecarboxylate |
CAS: |
32767-46-7 |
Synonyms: |
4,4-Dimethyl-2-oxocyclohexanecarboxylic Acid Methyl Ester; 5,5-Dimethyl-2-(methoxycarbonyl)cyclohexanone |
IUPAC Name: | methyl 4,4-dimethyl-2-oxocyclohexane-1-carboxylate |
Description: | Methyl 4,4-Dimethyl-2-oxocyclohexanecarboxylate is used as a reactant in the synthesis of pyrido[3',2':4,5]furo[3,2-d]pyrimidines studied as potent phosphodiesterase type 4 (PDE4) inhibitors, which can potentially be used for treatment of asthma and chronic obstructive pulmonary disease (COPD). |
Molecular Weight: | 184.23 |
Molecular Formula: | C10H16O3 |
Canonical SMILES: | CC1(CCC(C(=O)C1)C(=O)OC)C |
InChI: | InChI=1S/C10H16O3/c1-10(2)5-4-7(8(11)6-10)9(12)13-3/h7H,4-6H2,1-3H3 |
InChI Key: | BHMOBBBEXFZLKW-UHFFFAOYSA-N |
References: | Taltavull, J., et al. Eur. J. Med. Chem., 46, 4946 (2011). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020216442-A1 | Benzenesulfonylbenazamide compound for inhibiting bcl-2 protein and composition and use thereof | 20170626 |
CN-108137578-A | ABT-199 addition salts and its crystal form, preparation method and pharmaceutical composition | 20160914 |
US-2019248788-A1 | Abt-199 addition salt and crystal form thereof, preparation method thereof, and pharmaceutical composition thereof | 20160914 |
WO-2018049634-A1 | Abt-199 addition salt and crystal form thereof, preparation method thereof, and pharmaceutical composition thereof | 20160914 |
US-10759798-B2 | ABT-199 addition salt and crystal form thereof, preparation method thereof, and pharmaceutical composition thereof | 20160914 |
CN-108137578-B | ABT-199 addition salt and crystal form thereof, preparation method and pharmaceutical composition thereof | 20160914 |
WO-2018041248-A1 | Bcl-2 selective inhibitor and preparation and use thereof | 20160901 |
EP-3179991-A1 | Therapeutic combinations of a btk inhibitor, a pi3k inhibitor, a jak-2 inhibitor, and/or a bcl-2 inhibitor | 20140811 |
TW-201618772-A | Therapeutic composition of BTK inhibitor, PI3K inhibitor, JAK-2 inhibitor and/or BCL-2 inhibitor | 20140811 |
US-2017231986-A1 | Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor | 20140811 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.109944368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS