Basic information
- CAS
41692-15-3- Standard SMILES
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O- InChIKey
RQOFITYRYPQNLL-ZWSAOQBFSA-N- Molecular formula
- C22H38O5
- Average molar mass
- 382.5 g/mol
Overview
16,16-dimethyl-PGE1 is a prostanoid.
Names & identifiers
- Preferred name
- 16,16-Dimethylprostaglandin E
- IUPAC
- 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
- English name
- 16,16-DIMETHYL PROSTAGLANDIN E1
- Molecular formula
- C22H38O5
- Molecular weight
- 382.53
Names & synonyms
41692-15-316,16-Dimethylprostaglandin ERefChem:90819116,16-dimethyl-PGE116,16-dimethyl Prostaglandin E116,16-Dimethylprostaglandin E17-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid16,16-dimethyl-Prostaglandin E19-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostaenoic acid16,16-dimethyl PGE1; 9-oxo-11|A,15R-dihydroxy-16,16-dimethyl-prost-13E-en-1-oic acidorb1693934SCHEMBL3365336
Show more names
16,16-dimethyl PGE19-oxo-11α,15R-dihydroxy-16,16-dimethyl-prost-13E-en-1-oic acid9-OXO-11ALPHA,15R-DIHYDROXY-16,16-DIMETHYL-PROST-13E-EN-1-OIC ACIDProst-13-en-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (11α,13E,15R)-Prost-13-en-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (11alpha,13E,15R)-
CHEBI:186965RQOFITYRYPQNLL-ZWSAOQBFSA-NHMS3648D15LMFA03010057AKOS040755125PD021160HY-114751CS-0064242
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/ml; · DMF: >100 mg/ml; DMSO: >50 mg/ml; Ethanol: >50 mg/ml; PBS pH 7.2: >1.6 mg/ml
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H336
- Precautionary statements
- 210 · P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319-H336
- Precautionary statements
- P210-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
Description16,16-dimethyl PGE1 is a metabolically stable synthetic analog of PGE1. It induces human vascular smooth muscle contractions in vitro. It is 2, 3, and 6 times more potent than PGF2α in contracting tracheal, bronchial, and bronchiolar smooth muscle, respectively.1
Uses16,16-Dimethylprostaglandin E1 (16,16-dimethyl-PGE1) is a PGE1 (HY-B0131) analog, induces bronchoconstrict and vascular smooth muscle contractions and suppresses the indomethacin induced cellular elongation[1][2][3].
Suppliers6 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: 16,16-dimethyl-PGE1 is a prostanoid.
Related reactions
1 records
Compound notes
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