2-(3-Methyloxetan-3-yl)acetic Acid - CAS 933727-35-6
Catalog: |
BB060392 |
Product Name: |
2-(3-Methyloxetan-3-yl)acetic Acid |
CAS: |
933727-35-6 |
Synonyms: |
3-Methyl-3-oxetaneacetic Acid |
IUPAC Name: | 2-(3-methyloxetan-3-yl)acetic acid |
Description: | 3-Methyl-3-oxetaneacetic Acid is used in the synthesis of Nicotinamide Phosphoribosyltransferase Inhibitors. 2-(3-Methyloxetan-3-yl)acetic Acid is a reagent used in the synthesis of prodrugs for the treatment or prevention of CNS diseases. As well, used in the preparation of NAMPT inhibitors, as potential therapeutics for oncological diseases. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | CC1(COC1)CC(=O)O |
InChI: | InChI=1S/C6H10O3/c1-6(2-5(7)8)3-9-4-6/h2-4H2,1H3,(H,7,8) |
InChI Key: | CWBDORJPANBOOX-UHFFFAOYSA-N |
References: | Zak, M, et al. J. Med. Chem., 59, 8345 (2016). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201932448-A | K's prodrugs and their compositions and uses | 20180110 |
US-10683262-B2 | Ketamine derivatives and compositions thereof | 20180110 |
US-2019322618-A1 | Ketamine derivatives and compositions thereof | 20180110 |
WO-2019137381-A1 | Prodrugs of ketamine, compositions and uses thereof | 20180110 |
AU-2019206950-A1 | Prodrugs of ketamine, compositions and uses thereof | 20180110 |
CA-3087912-A1 | Prodrugs of ketamine, compositions and uses thereof | 20180110 |
CN-111836798-A | Prodrugs of ketamine, compositions and uses thereof | 20180110 |
EP-3737665-A1 | Prodrugs of ketamine, compositions and uses thereof | 20180110 |
IL-275968-D0 | Ketamine prodrugs, preparations containing them and their uses | 20180110 |
KR-20200116102-A | Prodrugs of ketamine, and compositions and uses thereof | 20180110 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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