Basic information
- CAS
888320-29-4- Standard SMILES
CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(C(=O)O)ccc32)cc1- InChIKey
NXDZVUAKVFVDSL-UHFFFAOYSA-N- Molecular formula
- C30H37NO7
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.25700252
Names & identifiers
- Preferred name
- 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
- IUPAC
- 1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
- English name
- CAY10502
- Molecular formula
- C30H37NO7
- Molecular weight
- 523.62
Names & synonyms
888320-29-41-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid1-(3-(4-Decoxyphenoxy)-2-oxopropyl)-3-methoxycarbonylindole-5-carboxylic acidRefChem:423066889-536-1CAY10502CHEMBL443834compound 57 [PMID: 16610804]1-(3-(4-(Decyloxy)phenoxy)-2-oxopropyl)-3-(methoxycarbonyl)-1H-indole-5-carboxylic acidGTPL8771orb1692791SCHEMBL22187718
Show more names
CAY10502,CAY-10502CAY10502 ExclusiveNXDZVUAKVFVDSL-UHFFFAOYSA-N1H-Indole-3,5-dicarboxylic acid, 1-[3-[4-(decyloxy)phenoxy]-2-oxopropyl]-, 3-methyl ester
HMS3650G20HMS3751M19BDBM50185354MFCD12912313AKOS0407559021-[3-(4-decoxyphenoxy)-2-oxo-propyl]-3-methoxycarbonyl-indole-5-carboxylic AcidDA-51624MS-29698
Database identifiers
- CAS
888320-29-4
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 693.6 · 693.6±55.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMF:PBS (pH 7.2)(1:1): 0.5 mg/ml; DMSO: 10 mg/ml
- form
- A crystalline solid
- pka
- 4.05 · 4.05±0.30(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H315-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H315-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
DescriptionPhospholipase A2 (PLA2) catalyzes the hydrolysis of phospholipids at the sn-2 position leading to the production of lysophospholipids and free fatty acids. Calcium-dependent cytosolic PLA2 (cPLA2α) is a 85 kDa enzyme that plays a key role in the arachidonic cascade and the inflammatory response associated with this metabolic pathway.1 CAY10502 is a potent inhibitor of calcium-dependent cytosolic PLA2α (cPLA2α) with an IC50 value of 4.3 nM for the purified enzyme from human platelets.2 It inhibits arachidonic acid mobilization from A23187-stimulated or TPA-stimulated human platelets with IC50 values of 570 and 0.9 nM, respectively.2
UsesCAY10502 is a potent, calcium-dependent cytosolic phospholipase A2 α (cPLA2α) inhibitor with an IC50 of 4.3 nM for isolated enzyme. CAY10502 can be used in the research of retinopathy and inflammatory diseases[1][2][3].
Suppliers13 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…