13-cis-4-Oxoretinoic acid
- SKU
- O0048
Category: API's & Intermediates
- Synonyms
- 4-Oxoisotretinoin , Ro 22-6595
- 71748-58-8
- CAS-Number
- C20H26O3
- Molecular Formula
- 314.42
- Molecular Weight
Specifications
- Purity
- ≥98% (HPLC)
- Identity
- 1H-NMR
- Appearance
- Dark yellow powder
Properties
- Density
- ~1.1 g/cm3 (Predicted)
- Boiling Point
- ~509.9 °C at 760 mmHg (Predicted)
- Melting Point
- 134 - 136 °C
- Solvents
- acetone, chloroform, ethanol (slightly), ether, ethyl acetate, isopropanol
Downloads
- Safety Data Sheet
- CDX O0048 MSDS.pdf
- Long Term Storage
- -20°C
- Use / Stability
- Stable for at least 2 years after receipt when stored at -20°C.
- Handling Advice
- Protect from light and moisture.
- Short Term Storage
- +4°C
- Shipping
- AMBIENT
- Transportation
- Not dangerous goods
- Signal word
- Danger
- GHS Symbol
- GHS07+GHS08
- Precautionary statements
- P201-P280-P305 + P351 + P338-P308 + P313-P337 + P313
- Hazard statements
- H315-H319-H335-H360
- Description
- Mayor active metabolites of 13-cis-retinoic acid (important drug in dermatology and treatment of neuroblastoma) with effects on gene transcription that regulate growth, differentiation and inflammation in normal and neoplastic skin cells. Shown to be as active as 13-cis-retinoic acid against neuroblastoma cell lines. Can be used as reference compound.
- InChi
- InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13-
- References
- (1) F.M. Vane & C.J. Bugge, Drug Metab. Dispos. 9, 515 (1981) , (2) J.M. Baron, et al., J. Invest. Derm. 125, 143 (2005) , (3) S.E. Rowbotham, et al., DMD 38, 1211 (2010) , (4) P. Sonawane, et al., Br. J. Pharmacol. 171, 5330 (2014)
- InChi Key
- GGCUJPCCTQNTJF-FAOQNJJDSA-N
- Smiles
- OC(/C=C(C)C=CC=C(C)C=CC(C(C)(CC1)C)=C(C)C1=O)=O
Mayor active metabolites of 13-cis-retinoic acid (important drug in dermatology and treatment of neuroblastoma) with effects on gene transcription that regulate growth, differentiation and inflammation in normal and neoplastic skin cells. Shown to be as active as 13-cis-retinoic acid against neuroblastoma cell lines. Can be used as reference compound.