Basic information
- CAS
3863-59-0- Standard SMILES
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)(O)O- InChIKey
BGSOJVFOEQLVMH-UHFFFAOYSA-N- Molecular formula
- C21H31O8P
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.17565494
Overview
Corphos is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Corphos
- IUPAC
- [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphate
- English name
- 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-(dihydrogen phosphate)
- Molecular formula
- C21H31O8P
- Molecular weight
- 442.44
Names & synonyms
CorphosCortisol, phosphate (salt)21-Hydrocortisonephosphoric acidHydrocortisone 21-(dihydrogen phosphate)CORTISOL, 21-(DIHYDROGEN PHOSPHATE)CHEMBL4793724SCHEMBL13026155CHEBI:188822NSC529660Hydrocortisone 21-dihydrogen phosphate[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphatePregn-4-ene-3, 11,17-dihydroxy-21-(phosphonooxy)-, (11.beta.)-
Show more names
NSC 529660Cortisol phosphateCortisol 21-phosphateHydrocortisone phosphateCortisol 21-monophosphateHydrocortisone 21-phosphateCortisol 21-phosphoric acidHydrocortisone dihydrogen phosphate
Database identifiers
- CAS
3863-59-0- PubChem CID
- 3645
- ChEMBL
CHEMBL4793724- ChEBI
CHEBI:188822
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 848
Physicochemical properties
- Boiling point
- 669.9 · 669.9±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 1.67 · 1.67±0.10(Predicted)
- FDA UNII
- 2 Y87E22X71 · 2Y87E22X71
Chemistry & industry
Applications
DescriptionHydrocortisone phosphate (Hydrocortisone 21-phosphate), a glucocorticoid, is an orally active steroidal anti-inflammatory agent (SAID). Hydrocortisone phosphate inhibits the biological activities of IL-6 and IL-3 with IC50 values of 6.7 and 21.4 μM, respectively. Hydrocortisone phosphate can be used in the study of ulcerative colitis (UC).
UsesGlucocorticoid.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
南京斯泰尔医药科技有限公司025-86711996 18351956221 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Musechem+1-800-259-7612 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Additional notes
DefinitionChEBI: A steroid phosphate that is the 21-O-phospho derivative of cortisol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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