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Basic information
- CAS
1127442-87-8- Standard SMILES
O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3C2)cc1- InChIKey
ZGSXEXBYLJIOGF-BTYSMDAFSA-N- Molecular formula
- C25H19N3O3
- Average molar mass
- 409.445 g/mol
- Monoisotopic mass
- 409.14264147
Names & identifiers
- Preferred name
- IWR-1-exo
- IUPAC
- 4-[(3aR,4R,7S,7aS)-1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
- English name
- exo-IWR 1
- Molecular formula
- C25H19N3O3
- Molecular weight
- 409.44
Names & synonyms
IWR-1-exoexo-IWR 1exo-IWR-1, 10 mM in DMSOInhibitor,exoIWR1,inhibit,Wnt,exo IWR 1rel-4-[(3aR,4R,7S,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-Methano-2H-isoindol-2-yl]-N-8-quinolinylbenzaMide4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamiderel-4-((3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(quinolin-8-yl)benzamideBenzamide, 4-[(3aR,4R,7S,7aS)-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinyl-, rel-
Database identifiers
- CAS
1127442-87-8- PubChem CID
- 1163034
- DTXSID
DTXSID50360787- ChEMBL
CHEMBL551505- ChEBI
CHEBI:62883
Properties
Physicochemical properties
- Boiling point
- 643.9 · 643.9±55.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
- pka
- 11.88 · 11.88±0.43(Predicted)
- color
- Light yellow to green yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usesexo-IWR-1 is the enantiomer of IWR-1 (I941800). exo-IWR-1 is an SAR anticancer Wnt response inhibitor. Such compounds may be used in the treatment of Wnt protein signaling-related diseases and conditions such as cancer, degenerative diseases, type II diabetes and osteopetrosis.
Suppliers26 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
InvivoChem中国13549236410 · [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]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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