1-Adamantanecarboxamide - CAS 5511-18-2
Catalog: |
BB028915 |
Product Name: |
1-Adamantanecarboxamide |
CAS: |
5511-18-2 |
Synonyms: |
adamantane-1-carboxamide |
IUPAC Name: | adamantane-1-carboxamide |
Description: | Reproduction of Sindbis virus strains sensitive and resistant to 1-adamantanecarboxamide. |
Molecular Weight: | 179.26 |
Molecular Formula: | C11H17NO |
Canonical SMILES: | C1C2CC3CC1CC(C2)(C3)C(=O)N |
InChI: | InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13) |
InChI Key: | CKBZJTAMRPPVSR-UHFFFAOYSA-N |
Boiling Point: | 343.3 °C at 760 mmHg |
Melting Point: | 188-190 °C (lit.) |
Purity: | > 97.0 % (GC) |
Density: | 1.174 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00077200 |
LogP: | 2.38840 |
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 |
US-2020375854-A1 | Compositions and methods for treating keratinous substrates | 20190531 |
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WO-2020227677-A1 | Fibroblast generated patient-specific vaccines | 20190509 |
WO-2020150434-A1 | Methods of inducing an anti-cancer immune response | 20190116 |
US-2020133122-A1 | Novel onium salt, chemically amplified resist composition, and patterning process | 20181024 |
PMID | Publication Date | Title | Journal |
23040895 | 20121101 | Adamantyl carboxamides and acetamides as potent human 11β-hydroxysteroid dehydrogenase type 1 inhibitors | Bioorganic & medicinal chemistry |
20981525 | 20110101 | Structure-based and property-compliant library design of 11β-HSD1 adamantyl amide inhibitors | Methods in molecular biology (Clifton, N.J.) |
21179412 | 20101217 | Α-galactosylceramide analogs with weak agonist activity for human iNKT cells define new candidate anti-inflammatory agents | PloS one |
18568426 | 20090301 | Selective P2X(7) receptor antagonists for chronic inflammation and pain | Purinergic signalling |
17350260 | 20070515 | Discovery and biological evaluation of adamantyl amide 11beta-HSD1 inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.131014166 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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