(3aR,6aR)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one - CAS 115509-13-2
Catalog: |
BB003578 |
Product Name: |
(3aR,6aR)-2,2-Dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one |
CAS: |
115509-13-2 |
Synonyms: |
(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one; (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one |
IUPAC Name: | (3aR,6aR)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one |
Description: | (3AR,6AR)-3A,6A-Dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one can be used as PRMT5 inhibitors to treat cancer, infectious diseases, and other PRMT5 related disorders. |
Molecular Weight: | 154.16 |
Molecular Formula: | C8H10O3 |
Canonical SMILES: | CC1(OC2C=CC(=O)C2O1)C |
InChI: | InChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m1/s1 |
InChI Key: | UWXUDHGKUWPPGB-RQJHMYQMSA-N |
Boiling Point: | 243.842 °C at 760 mmHg |
Density: | 1.157 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD08166479 |
LogP: | 0.64540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020249663-A1 | Novel spirobicyclic intermediates | 20190612 |
WO-2020243178-A1 | Heterocyclic compounds as prmt5 inhibitors | 20190530 |
WO-2020221209-A1 | Cd73 inhibitor, preparation method therefor and application thereof | 20190428 |
US-2020317686-A1 | Compounds targeting prmt5 | 20190402 |
WO-2020205867-A1 | Compounds targeting prmt5 | 20190402 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.062994177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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