Basic information
- CAS
2083618-79-3- Standard SMILES
Cc1cc(NC(=O)c2nc3nc4c(c(=O)n3[nH]2)CCC4)c(C)cc1NC(=O)CCc1nnc(-c2ccccc2)o1- InChIKey
DWWDFNUIUZQWOP-UHFFFAOYSA-N- Molecular formula
- C28H26N8O4
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- N-[2,5-dimethyl-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamide
- English name
- 1H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[2,5-dimethyl-4-[[1-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]phenyl]-5,6,7,8-tetrahydro-8-oxo-
- Molecular formula
- C28H26N8O4
- Molecular weight
- 538.56
Names & synonyms
PDZ1i2083618-79-3N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamideN-[2,5-dimethyl-4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxamidePDZ1i?orb1686239SCHEMBL20160723EX-A5209AT44255DA-56661HY-124813CS-0087781
Show more names
113B7N-(2,5-Dimethyl-4-(3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamido)phenyl)-8-oxo-5,6,7,8-tetrahydro-1H-cyclopenta[D][1,2,4]triazolo[1,5 -a]pyrimidine-2-carboxamide1H-Cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[2,5-dimethyl-4-[[1-oxo-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propyl]amino]phenyl]-5,6,7,8-tetrahydro-8-oxo-
T63797
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 10.11 · 10.11±0.70(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
DescriptionPDZ1i, also known as 113B7, is an inhibitor of MDA-9/Syntenin activity. PDZ1i radiosensitized GBM cells. PDZ1i inhibited crucial GBM signaling involving FAK and mutant EGFR, EGFRvIII, and abrogated gains in secreted proteases, MMP-2 and MMP-9, following radiation. In an in vivo glioma model, PDZ1i resulted in smaller, less invasive tumors and enhanced survival. When combined with radiation, survival gains exceeded radiotherapy alone.
UsesPDZ1i is a potent, BBB-penetrated and specific MDA-9/Syntenin inhibitor. PDZ1i inhibits crucial GBM (glioblastoma multiforme) signaling involving FAK and EGFRvIII. PDZ1i reduces MMP secretion. PDZ1i can improve survival of brain tumor-bearing mice and reduce tumor invasion[1].
Suppliers13 total
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
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Compound notes
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