 Home > Encyclopedia > 4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide structure

CAS No:
1127442-87-8
Formula:
C25H19N3O3
Chemical Name:
4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide
Synonyms:
4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide;exo-IWR 1;IWR-1-exo;rel-4-[(3aR,4R,7S,7aS)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-Methano-2H-isoindol-2-yl]-N-8-quinolinylbenzaMide

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Description

IWR-1-exo is a dicarboximide having an exo bridged phthalimide structure, substituted at nitrogen by a 4-(quinolin-8-ylcarbamoyl)benzoyl group. It is a weak axin stabilizer, an analogue of IWR-1-endo. It has a role as an axin stabilizer. It is a dicarboximide and a bridged compound.

4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide Basic Attributes

Molecular Weight：

409.43666

Exact Mass：

409.143

DSSTox ID：

DTXSID50360787

Characteristics

PSA：

79.4

XLogP3：

2.9

Storage Conditions：

Store at RT

4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide Use and Manufacturing

exo-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.

Computed Properties

Molecular Weight:409.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:409.14264148
Monoisotopic Mass:409.14264148
Topological Polar Surface Area:79.4
Heavy Atom Count:31
Complexity:772
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4-[(3aR,4R,7S,7aS-rel)-1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl]-N-8-quinolinylbenzamide

SDS

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