Basic information
- CAS
100648-29-1- Standard SMILES
C=C1C[C@H](O)[C@H](C/C=C\CCCC(=O)O)[C@H]1/C=C/[C@@H](O)CCCCC- InChIKey
ROZAFJXVUNORLT-SFIVEXQWSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Overview
11-deoxy-11-methylene-PGD2 is a prostanoid.
Names & identifiers
- Preferred name
- (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
- IUPAC
- (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
- English name
- 11-DEOXY-11-METHYLENE PROSTAGLANDIN D2
- Molecular formula
- C21H34O4
- Molecular weight
- 350.49
Names & synonyms
100648-29-111-Deoxy-11-methylene PGD211-deoxy-11-methylene Prostaglandin D211-deoxy-11-methylene-PGD2(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid11-Deoxy-11-methyleneprostaglandin D211-deoxy-11-methylene-Prostaglandin D29S,15S-dihydroxy-11-methylene-5Z,13E-prostadienoic acidLMFA03010103orb2567287SCHEMBL23352671CHEBI:184260
Show more names
9ALPHA,15S-DIHYDROXY-11-METHYLENE-PROSTA-5Z,13E-DIEN-1-OIC ACIDProsta-5,13-dien-1-oicacid,9,15-dihydroxy-11-methylene-,(5z,9a,13e,15s)-Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-methylene-, (5Z,9α,13E,15S)-
ROZAFJXVUNORLT-SFIVEXQWSA-NDTXSID301370429HMS3648M17PD021338DB-215037HY-112533CS-0046324T85380
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physicochemical properties
- solubility
- 100 mg/ml; · DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 100 mg/ml; PBS (pH 7.2): 3.75 mg/ml
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
Chemistry & industry
Applications
UsesProstaglandin D2 (PGD2; ) is one of the five primary enzymatic prostaglandins derived directly from PGH2 . PGD2 is produced abundantly in the CSF by the lipocalin-type PGD synthase, and in the periphery by myeloid cells including mast cells and basophils by a second, leukocyte-type PGD synthase. 11-deoxy-11-methylene PGD2 is a novel, chemically stable, isosteric analog of PGD2 wherein the 11-keto group is replaced by an exocyclic methylene. In the PGE series, the analogous modification leads to a stable, somewhat less potent agonist which embodies the same uterine stimulant and cervical ripening activities as the parent prostaglandin. However, 11-deoxy-11-methylene PGD2 has been reported by one group to be essentially without agonist activity on human platelets, a DP1 receptor assay.
Suppliers4 total
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: 11-deoxy-11-methylene-PGD2 is a prostanoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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