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Basic information
- Standard SMILES
CCCCCC(O)C=CC1CC2CC(C1CC=CCCCC(=O)O)C2(C)C- InChIKey
OHJIHGVLRDHSDV-UHFFFAOYSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.581 g/mol
- Monoisotopic mass
- 376.29774514
Names & identifiers
- Preferred name
- Pinane thromboxane A2
- IUPAC
- 7-[3-(3-Hydroxyoct-1-en-1-yl)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid
- English name
- Pinane thromboxane A2
- Molecular formula
- C24H40O3
- Molecular weight
- 376.57
Names & synonyms
PTA2Pinane thromboxane A2OHJIHGVLRDHSDV-BNAVIEMTSA-NPTA2 (Pinane thromboxane A2)Pinane-thromboxanea2syntheticpinane thromboxane A2 ethanol solution9ALPHA,11ALPHA-(DIMETHYL)METHYLENE-15S-HYDROXY-11A-DEOXY-11A-METHYLENE-THROMBA-5Z,13E-DIEN-1-OIC ACID(Z)-7-[(1S,5S)-3β-[(E,S)-3-Hydroxy-1-octenyl]-6,6-dimethylbicyclo[3.1.1]heptan-2α-yl]-5-heptenoic acid(5Z)-7-[(1S,1β,5β)-3β-[(3S,1E)-3-Hydroxy-1-octene-1-yl]-6,6-dimethylbicyclo[3.1.1]heptane-2α-yl]-5-heptenoic acid5-Heptenoic acid, 7-[(1S,2R,3R,5S)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-, (5Z)-
Database identifiers
- CAS
71111-01-8- PubChem CID
- 3417932
- DTXSID
DTXSID30392309
Properties
Physicochemical properties
- Boiling point
- 508.6 · 508.6±25.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 50 mg/ml; · DMF: >50 mg/ml; DMSO: >25 mg/ml; Ethanol: >100 mg/ml; PBS pH 7.2: >100 μg/ml
- form
- ethanol solution
- pka
- 4.76 · 4.76±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 1170 · UN 1170 3/PG 2
Safety & regulation
Safety data
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- Hazard statements
- H225
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
UsesPTA2 (Pinane thromboxane A2) is a TXA2R antagonist and an inhibitor of TBXAS1.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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]
Related reactions
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