Dihydroavenanthramide D - CAS 697235-49-7
Catalog: |
BB033943 |
Product Name: |
Dihydroavenanthramide D |
CAS: |
697235-49-7 |
Synonyms: |
2-[[3-(4-Hydroxyphenyl)-1-oxopropyl]amino]benzoic acid; Hydroxyphenyl propamidobenzoic acid; Symcalmin |
IUPAC Name: | 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid |
Description: | Dihydroavenanthramide D is a natural alkaloid that exerts antihistamine, antioxidant, anti-irritation, anti-inflammatory, and anti-erythema effects. It has a good effect on relieving itching, irritation, and redness of sensitive skin. It is suitable for anti-inflammation and anti-sensitivity, soothing repair, antibacterial, oil control acne, enhanced skin immunity, and other products. Dihydroavenanthramide D can effectively inhibit pruritus, contact dermatitis, and neurodermatitis, and effectively reduce erythema. |
Molecular Weight: | 285.29 |
Molecular Formula: | C16H15NO4 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O |
InChI: | InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21) |
InChI Key: | DLFOKZQWYFNKCL-UHFFFAOYSA-N |
Boiling Point: | 590.0±40.0°C (Predicted) |
Melting Point: | 188-203°C |
Purity: | 98% |
Density: | 1.354±0.06 g/cm3(Predicted) |
Solubility: | Soluble in Water |
Appearance: | White to off-white crystal powder |
Storage: | Store at -20°C |
MDL: | MFCD26131465 |
LogP: | 3.31120 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939803-A | Preparation process of dihydrooat alkaloid D | 20210207 |
CN-112891257-A | Mosquito-repellent composition and application thereof | 20210126 |
JP-2021073195-A | Composition with stable taste and odor | 20201228 |
WO-2021175450-A1 | COMPOSITION OR OAT EXTRACT COMPRISING AVENANTHRAMIDE AND ß-GLUCAN | 20200306 |
WO-2021175451-A1 | Cosmetic or pharmaceutical use of avenanthramide l | 20200306 |
PMID | Publication Date | Title | Journal |
21262201 | 20110225 | Dihydroavenanthramide D inhibits human breast cancer cell invasion through suppression of MMP-9 expression | Biochemical and biophysical research communications |
19576175 | 20090911 | Dihydroavenanthramide D protects pancreatic beta-cells from cytokine and streptozotocin toxicity | Biochemical and biophysical research communications |
19233266 | 20090801 | Dermal and transdermal targeting of dihydroavenanthramide D using enhancer molecules and novel microemulsions | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
18514497 | 20080901 | Modulation of dihydroavenanthramide D release and skin penetration by 1,2-alkanediols | European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 86.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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