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exo-IWR 1 - 98%, high purity , CAS No.1127442-87-8

COA

Grade & Purity:

≥98%

Cas Number: 1127442-87-8
Molecular Weight: 409.44
PubChem CID: 1163034
PubChem SID: 504760403

In stock

Item Number

E287976

Grouped product items
SKU	Size	Availability	Price
E287976-5mg	5mg	2	$49.90
E287976-10mg	10mg	2	$88.90
E287976-25mg	25mg	2	$179.90
E287976-50mg	50mg	1	$297.90
E287976-100mg	100mg	1	$476.90

Negative control forendo-IWR 1

View related series

Stem Cell/Wnt (1019) Wnt (104)

Basic Description

Synonyms	SCHEMBL17369116 \| IWR 1-exo \| exo-IWR-1 \| J-002832 \| 1127442-87-8 \| CHEBI:62883 \| HY-108437 \| IWR-1-exo \| Q27132253 \| rel-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 \| exo-IWR 1 \| 4-[(3aR,4R
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Negative control forendo-IWR 125-fold less active thanendo-IWR 1; exhibits decreased activity against the Wnt/β-catenin pathway.Active Analogalso available.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Phenylpyrrolidines Quinolines and derivatives Isoindolones Benzamides Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyridines and derivatives Pyrroles Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Isoindolone - Quinoline - Benzamide - Isoindoline - Isoindole or derivatives - Benzoyl - Carboxylic acid imide, n-substituted - Pyridine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors	dicarboximide - bridged compound
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TNKS Tchem Tankyrase-1 (2 Activities)

Discover Target: TNKS

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TNKS2 Tchem Tankyrase-2 (1 Activities)

Discover Target: TNKS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	504760403
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760403
IUPAC Name	4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-quinolin-8-ylbenzamide
INCHI	InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20+,21-
InChIKey	ZGSXEXBYLJIOGF-BTYSMDAFSA-N
Smiles	C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
Isomeric SMILES	C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6
Molecular Weight	409.44
Reaxy-Rn	30206857
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30206857&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
K2321327	Certificate of Analysis	Nov 08, 2023	E287976
K2321335	Certificate of Analysis	Nov 08, 2023	E287976
K2321337	Certificate of Analysis	Nov 08, 2023	E287976
K2321338	Certificate of Analysis	Nov 08, 2023	E287976
K2321339	Certificate of Analysis	Nov 08, 2023	E287976
K2321340	Certificate of Analysis	Nov 08, 2023	E287976
K2321341	Certificate of Analysis	Nov 08, 2023	E287976
K2321342	Certificate of Analysis	Nov 08, 2023	E287976
K2321343	Certificate of Analysis	Nov 08, 2023	E287976
K2321344	Certificate of Analysis	Nov 08, 2023	E287976

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 40.94, Max Conc. mM: 100
Molecular Weight	409.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	409.143 Da
Monoisotopic Mass	409.143 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	772.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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