Basic information
- CAS
88149-94-4- Standard SMILES
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1- InChIKey
AJFTZWGGHJXZOB-UHFFFAOYSA-N- Molecular formula
- C17H12BrFO2S2
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 409.94461194
Overview
DuP 697 is a member of thiophenes.
Names & identifiers
- Preferred name
- 5-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene
- IUPAC
- 5-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene
- English name
- DUP-697
- Molecular formula
- C17H12BrFO2S2
- Molecular weight
- 411.31
Names & synonyms
88149-94-4Dup 697MRWLZPOFPADTXSID502368575-Bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)thiophene5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]thiopheneRefChem:913274DTXCID80159348dup-6975-bromo-2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)thiopheneThiophene, 5-bromo-2-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)-CHEMBL42485
Show more names
BFMeTDuP697,DuP 697DuP-697 Assay ReagentDuP-697, 10 mM in DMSOThiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-
Thiophene,5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-Thiophene, 5-bromo-2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]- [CAS]SMR000466299SR-01000597563C17H12BRFO2S25-Bromo-2-(4-fluorophenyl)-3-(4-methysulfonylphenyl)thiopheneAJFTZWGGHJXZOB-UHFFFAOYSA-NUNII-MRWLZPOFPA
Database identifiers
- CAS
88149-94-4- PubChem CID
- 3177
- DTXSID
DTXSID50236857- ChEMBL
CHEMBL42485- ChEBI
CHEBI:4720- UNII
- MRWLZPOFPA
- Nikkaji
- J399.572K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 54 mg/ml; · DMF: 54 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml; DMSO: 15 mg/ml; Ethanol: 7 mg/ml
- form
- White to off-white solid.
- color
- White to off-white
- FDA UNII
- MRWLZPOFPA
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Applications
DescriptionDuP-697 is a member of the diaryl heterocycle group of selective COX-2 inhibitors which includes MK-966 (rofecoxib), SC-58125, and celecoxib. DuP-697 is a potent and time-dependent inhibitor of COX-2. When tested on isolated recombinant enzymes, DuP-697 is at least 50 times more potent in the inhibition of COX-2 than COX-1. The IC50 values for human recombinant COX-2 are 80 and 40 nM at 5 and 10 minutes, respectively. The IC50 for the inhibition of human recombinant COX-1 after the same time intervals is 9 μM. DuP-697 also attenuates the COX-1 inhibitory activity of non-selective COX inhibitors such as indomethacin.
UsesDuP-697 is a thiophene that inhibits COX-2 and acts as a NSAID.
Suppliers27 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [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]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Additional notes
DefinitionChEBI: DuP 697 is a member of thiophenes.
Related reactions
3 records
Compound notes
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