Completing data — usually done within a minute
Basic information
- CAS
100324-81-0- Standard SMILES
CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
NSMXQKNUPPXBRG-UHFFFAOYSA-N- Molecular formula
- C13H20N4O3
- Average molar mass
- 280.328 g/mol
- Monoisotopic mass
- 280.1535405
Names & identifiers
- Preferred name
- (+/-)-Lisofylline
- IUPAC
- 1-(5-Hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- English name
- Hydroxy pentoxifylline
- Molecular formula
- C13H20N4O3
- Molecular weight
- 280.32
Names & synonyms
LISOFYLLINE1-(5-hydroxyhexyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione(±)-Lisofylline(+/-)-LISOFYLLINEPenthydroxifillyneLisofylline (racemic)Hydroxy pentoxifylline5-Hydroxy pentoxifyllinepentoxyfylline metabolite 2Pentoxifylline Metabolite I
Database identifiers
- CAS
100324-81-0、6493-06-7- PubChem CID
- 57782
- DTXSID
DTXSID6046343- ChEMBL
CHEMBL1514176- ChEBI
CHEBI:143565- UNII
- R99EE080JS
- Nikkaji
- J258.549I
Properties
Physicochemical properties
- Melting point
- 123 · 123-125°C
- Boiling point
- 511.2 · 511.2±56.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO: soluble
- form
- solid
- pka
- 15.22 · 15.22±0.20(Predicted)
- color
- white
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 2 months.
- InChI
- InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3
- InChIKey
- NSMXQKNUPPXBRG-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(N(C)C(=O)N(CCCCC(O)C)C2=O)N=C1
- NCI Dictionary of Cancer Terms
- lisofylline
- FDA UNII
- 99 EE080JS · R99EE080JS
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Applications
DescriptionLisofylline (6493-06-7, racemic) displays anti-inflammatory activity. Regulates immune cell function and autoimmune response by inhibition of IL-12 signalling and cytokine production.1 Protects pancreatic beta cells and prevents type I diabetes in non-obese diabetic mice.2 Lisofylline reduces LPS-induced TNF alpha levels in CD-1 mice.3Cell permeable.
UsesA major oxidative metabolite of Pentoxifylline. A potent inhibitor of phosphatidic acid generation (IC50=0.6uM). Protects mice from endotoxic shock and attenuates sepsis-induced acute lung injury in pig.
Suppliers44 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
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Cato Research Chemicals Inc.020-81960175 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
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上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
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上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
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Additional notes
DefinitionChEBI: 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione is a dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively. It is a secondary alcohol and a dimethylxanthine.
Related reactions
3 records
Compound notes
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