ChemSpider 2D Image | Amcinonide | C28H35FO7

Amcinonide

  • Molecular FormulaC28H35FO7
  • Average mass502.572 Da
  • Monoisotopic mass502.236694 Da
  • ChemSpider ID392009
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11b,16a)-21-(Acetyloxy)-16,17-[cyclopentylidenebis(oxy)]-9-fluoro-11-hydroxypregna-1,4-diene-3,20-dione
,1':4,5]indéno[1,2-d][1,3]dioxol]-6b'-yl]-2-oxoéthyle
2-[(4a'S,4b'R,5'S,6a'S,6b'S,9a'R,10a'S,10b'S)-4b'-Fluor-5'-hydroxy-4a',6a'-dimethyl-2'-oxo-2',4a',4b',5',6',6a',9a',10',10a',10b',11',12'-dodecahydro-6b'H-spiro[cyclopentan-1,8'-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol]-6b'-yl]-2-oxoethylacetat
2-[(4a'S,4b'R,5'S,6a'S,6b'S,9a'R,10a'S,10b'S)-4b'-Fluoro-5'-hydroxy-4a',6a'-dimethyl-2'-oxo-2',4a',4b',5',6',6a',9a',10',10a',10b',11',12'-dodecahydro-6b'H-spiro[cyclopentane-1,8'-naphtho[2',1':4,5]in deno[1,2-d][1,3]dioxol]-6b'-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4a'S,4b'R,5'S,6a'S,6b'S,9a'R,10a'S,10b'S)-4b'-Fluoro-5'-hydroxy-4a',6a'-dimethyl-2'-oxo-2',4a',4b',5',6',6a',9a',10',10a',10b',11',12'-dodecahydro-6b'H-spiro[cyclopentane-1,8'-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol]-6b'-yl]-2-oxoethyl acetate
256-915-2 [EINECS]
3755
423W026MA9
51022-69-6 [RN]
9-Fluoro-11b,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Cyclic 16,17-Acetal with Cyclopentanone 21-Acetate
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CL 34699 [DBID]
A2428_SIGMA [DBID]
CL-34699 [DBID]
D01387 [DBID]
MLS000028656 [DBID]
SMR000058920 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      D07AC11 Wikidata Q4742041
    • Bio Activity:

      Amcinonide inhibit NO release from activated microglia with IC50 3.38 nM. MedChem Express http://www.medchemexpress.com/Piperonyl-butoxide.html, HY-B1197
      Amcinonide inhibit NO release from activated microglia with IC50 3.38 nM. Amcinonide has affinity for the glucocorticoid receptor.;IC50 value: 3.38 nM [1];Target: NO release;In vitro: Simultaneous immunofluorescent staining for T6 and Ia antigenicity within human epidermis of Amcinonide treated skin detected reduced numbers of T6+/Ia+ cells with a concomitant increase in T6+/Ia- cells. [2];In vivo: Amcinonide is an anti-inflammatory agent, elicites whitening of a few hairs in both pheomelanic and eumelanic mice. Amcinonide brings about a marked reduction in the numbers of DOPA-positive epidermal melanocytes inhabiting the tails of eumelanic or pheomelanic mice. Amcinonide exertes a deleterious influence on the structure and function of tail epidermis. [3] MedChem Express HY-B1197
      Glucocorticoid Receptor MedChem Express HY-B1197
      GPCR/G protein MedChem Express HY-B1197
      GPCR/G protein; MedChem Express HY-B1197

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±6.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 296.69
ACD/KOC (pH 5.5): 2047.74
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.68
ACD/KOC (pH 7.4): 2047.74
Polar Surface Area: 99 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

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