Basic information
- CAS
59865-15-5- Standard SMILES
CCCC[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C- InChIKey
TYFOVYYNQGNDKH-CJOIJTDBSA-N- Molecular formula
- C62H113N11O12
- Average molar mass
- 1,204.6 g/mol
- Monoisotopic mass
- 1,203.85701808
Names & identifiers
- Preferred name
- DihydroCsA
- IUPAC
- (3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhexyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
- English name
- Dihydrocyclosporin a
- Molecular formula
- C62H113N11O12
- Molecular weight
- 1204.63
Names & synonyms
DihydroCsASCHEMBL31327511(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methyl-hexyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undeconeCS-2523Cyclosporin EP BDihydrocyclosporinCapecitabine Imp.Gdihyroyclosporine ADihydrocyclosporin aDihydrocyclosporine ACyclosporin Impurity 10Cyclosporine Impurity 10
Show more names
Ciclosporin EP impurity B
Database identifiers
- CAS
59865-15-5- PubChem CID
- 73258
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 279 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 85
- Formal charge
- 0
- Complexity
- 2,280
Physicochemical properties
- Melting point
- 120 · 120-125C
- Boiling point
- 1285.3 · 1285.3±65.0 °C(Predicted)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 13.33 · 13.33±0.70(Predicted)
- form
- Solid
- color
- White
- InChIKey
- TYFOVYYNQGNDKH-AAJDKDKZNA-N
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 350 · H350-H302-H362
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P201-P260-P263-P264-P270-P308+P313
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)
- GHS07,GHS08
- Hazard statements
- H350-H302-H362
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P201-P260-P263-P264-P270-P308+P313
Chemistry & industry
Applications
UsesDihydrocyclosporin A is a closely related co-metabolite of cyclosporin A. Dihydrocyclosporin A possesses no immunosuppressant activity and has found use as a control to determine the role of immunosuppression in the pharmacology of cyclosporin A, particularly in the treatment of parasitic infections.
UsesDihydrocyclosporin A (DHCsA-d) is cyclosporine A (CsA) derivative. DHCsA-d significantly inhibited promastigotes and intracellular amastigotes, but it is highly cytotoxic.
UsesA Cyclosporin A (C988900) analog, an immunosuppressant.
Upstream & downstream products
Upstream raw materials
Suppliers80 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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