Home > Compound List > Compound details
121808-62-6 molecular structure
click picture or here to close

(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid

ChemBase ID: 119547
Molecular Formular: C9H12N2O4S
Molecular Mass: 244.26758
Monoisotopic Mass: 244.05177787
SMILES and InChIs

SMILES:
N1(C(=O)[C@H]2NC(=O)CC2)[C@H](C(=O)O)CSC1
Canonical SMILES:
O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O
InChI:
InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
InChIKey:
UUTKICFRNVKFRG-WDSKDSINSA-N

Cite this record

CBID:119547 http://www.chembase.cn/molecule-119547.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
IUPAC Traditional name
pidotimod
(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
Synonyms
Pidotimod
(R)-3-((S)-5-oxopyrrolidine-2-carbonyl)thiazolidine-4-carboxylic acid
Polimod
Pidotimod
Axil
Onaka
Pigitil
CAS Number
121808-62-6
PubChem SID
162108072
PubChem CID
65944

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5657098  H Acceptors
H Donor LogD (pH = 5.5) -3.221541 
LogD (pH = 7.4) -4.647885  Log P -1.2931193 
Molar Refractivity 55.8341 cm3 Polarizability 22.043678 Å3
Polar Surface Area 86.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others expand Show data source
Mechanism of Action
Activator of T-lymphocyctes and stimulator of granulocytes and macrophages expand Show data source
Purity
95+% expand Show data source
Salt Data
Free Base expand Show data source
Description
Isomers expand Show data source
Application(s)
Immunomodulator expand Show data source
Used for treatment of recurrent respiratory infections expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Eur. Pat., 1988, Poli Ind Chim, 276 752; CA, 109, 190876e, (synth, pharmacol)
  • • Coppi, G. et al., J. Chromatogr., 1991, 563, 385, (hplc)
  • • Migliorati, G. et al., Immunopharmacol. Immunotoxicol., 1992, 14, 737, (pharmacol)
  • • Pugliese, A. et al., Int. J. Immunother., 1992, 8, 212
  • • Dal Bo, L. et al., Boll. Chim. Farm., 1993, 132, 126, (hplc)
  • • Arzneim.-Forsch., 1994, 44, 1399, (numerous papers)
  • • Chiarenza, A. et al., Pharmacol. Toxicol., 1994, 74, 262, (pharmacol)
  • • Ayala, D.J. et al., Acta Cryst. C, 1995, 51, 473, (cryst struct)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle