Basic information
- CAS
835598-94-2- Standard SMILES
CCOC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCC2- InChIKey
KEVHLTCEMHIJTQ-UHFFFAOYSA-N- Molecular formula
- C21H25N3O5S
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- Glx351322
- IUPAC
- ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- English name
- GLX351322
- Molecular formula
- C21H25N3O5S
- Molecular weight
- 431.51
Names & synonyms
GLX351322GLX-351322ethyl 2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-((2-(4-(furan-2-carbonyl)piperazin-1-yl)acetyl)amino)-5,6-dihydro-4H-cyclopenta(b)thiophene-3-carboxylateRefChem:922320835598-94-2Ethyl 2-(2-(4-(furan-2-carbonyl)piperazin-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateCHEMBL5399030MFCD05123600GLX 351322orb1299213SCHEMBL15272557
Show more names
CS-2871GLX351322 ，S0178GLX351322,GLX-351322,GLX 351322,NADPH Oxidase,NOX,Inhibitor,inhibitEthyl 2-(2-(4-(furan-2-carbonyl)piperazin-1-yl)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate , GLX3513224H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[2-[4-(2-furanylcarbonyl)-1-piperazinyl]acetyl]amino]-5,6-dihydro-, ethyl ester
GTPL14283GLXC-21038EX-A2789KIB59894BDBM50628599AKOS000752436GLX351322, 10 mM in DMSOGLX351322?
Database identifiers
- CAS
835598-94-2- ChEMBL
CHEMBL5399030
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 655
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 20 · DMSO:20.0(Max Conc. mg/mL);46.35(Max Conc. mM)DMF:1.0(Max Conc. mg/mL);2.32(Max Conc. mM)DMF:PBS (pH 7.2) (1:2):0.33(Max Conc. mg/mL);0.76(Max Conc. mM)Ethanol:4.0(Max Conc. mg/mL);9.27(Max Conc. mM)
- form
- A crystalline solid
- color
- White to off-white
- InChIKey
- KEVHLTCEMHIJTQ-UHFFFAOYSA-N
- SMILES
- O=C(C1=C(NC(CN2CCN(C(C3=CC=CO3)=O)CC2)=O)SC4=C1CCC4)OCC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesGLX351322 is an inhibitor of NADPH oxidase 4 (Nox4), and inhibits hydrogen peroxide production from NOX4-overexpressing cells with an IC50 of 5 μM.
Suppliers46 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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