WEHI-539 , CAS No.1431866-33-9

CAS: 1431866-33-9 Cat. No.: W125716 Peso molecular: 583.72 PubChem CID: 71297207
Disponible para pedir
Synonyms
A13005 | NCGC00379003-03 | 1431866-33-9 | 5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-1,3-Thiazole-4-Carboxylic Acid | 5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
W125716-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
466,90US$
10mg
W125716-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
656,90US$
50mg
W125716-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
2.517,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
A13005 | NCGC00379003-03 | 1431866-33-9 | 5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1, 3-Benzothiazol-2-Ylhydrazinylidene)-6, 7-Dihydro-5h-Naphthalen-2-Yl]-1, 3-Thiazole-4-Carboxylic Acid | 5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-
Mecanismos bioquímicos y fisiológicos

Description:
IC50 Value: 1.1 nM (BCL-XL) [1]
The prosurvival BCL-2 family protein BCL-XL is often overexpressed in solid tumors and renders malignant tumor cells resistant to anticancer therapeutics. The optimized compound, WEHI

Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasC1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)C(=NNC5=NC6=CC=CC=C6S5)C1
IUPAC Name5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
InChIKeyJKMWZKPAXZBYEH-JWHWKPFMSA-N
INCHI1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
Isómeros SMILES C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1
PubChem CID 71297207
Peso molecular 583.72

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseTetralins
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetralins
Alternative Parents Benzothiazoles  Thiazolecarboxylic acids and derivatives  Phenylmethylamines  Phenoxy compounds  Phenol ethers  2,4,5-trisubstituted thiazoles  Benzylamines  Alkyl aryl ethers  Aralkylamines  Heteroaromatic compounds  Amino acids  Hydrazones  Azacyclic compounds  Carboxylic acids  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Tetralin - 1,3-benzothiazole - 2,4,5-trisubstituted 1,3-thiazole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Thiazolecarboxylic acid or derivatives - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrazone - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
BCL2L1 Tchem Bcl-2-like protein 1 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Solubilidad25°C: DMSO
Peso molecular583.700 g/mol
XLogP34.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass583.171 Da
Monoisotopic Mass583.171 Da
Topological Polar Surface Area179.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity903.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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