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AI-10-49 - 10mM in DMSO , CAS No.1256094-72-0

AI-10-49 - 10mM in DMSO , CAS No.1256094-72-0

Name: AI-10-49 - 10mM in DMSO , CAS No.1256094-72-0
Brand: Aladdin Scientific
SKU: A421073
Availability: InStock

CAS: 1256094-72-0 Cat. No.: A421073 Peso molecular: 660.52 PubChem CID: 49806644

COA

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AI-10-49 - 10mM in DMSO CAS No(1256094-72-0) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY 10mM in DMSO

Synonyms

AI-10-49|1256094-72-0|2,2'-(5,5'-((oxybis(ethane-2,1-diyl))bis(oxy))bis(pyridine-5,2-diyl))bis(6-(trifluoromethoxy)-1H-benzo[d]imidazole)|UBW5XL5U9W|2,2'-[Oxybis(2,1-ethanediyloxy-5,2-pyridinediyl)]bis[6-(trifluoromethoxy)-1H-benzimidazole]|6-(trifluorome

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

🧪

Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

📚

Literature proof

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

Descripción general

AI-10-49 is a selective inhibitor of the binding of CBFβ-SMMHC to RUNX1 with IC50 of 260 nM.

Specifications

Sinónimos

AI-10-49 | 1256094-72-0 | 2, 2'-(5, 5'-((oxybis(ethane-2, 1-diyl))bis(oxy))bis(pyridine-5, 2-diyl))bis(6-(trifluoromethoxy)-1H-benzo[d]imidazole) | UBW5XL5U9W | 2, 2'-[Oxybis(2, 1-ethanediyloxy-5, 2-pyridinediyl)]bis[6-(trifluoromethoxy)-1H-benzimidazole] | 6-(trifluorome

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Propiedades del producto

ALogP	8.991
Recuento HBD	2
Enlace rotable	14

Nombres e identificadores

Sonrisas canónicas	C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F
IUPAC Name	6-(trifluoromethoxy)-2-[5-[2-[2-[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyridin-3-yl]oxyethoxy]ethoxy]pyridin-2-yl]-1H-benzimidazole
InChIKey	WJBSSBFGPKTMQQ-UHFFFAOYSA-N
INCHI	1S/C30H22F6N6O5/c31-29(32,33)46-17-1-5-21-25(13-17)41-27(39-21)23-7-3-19(15-37-23)44-11-9-43-10-12-45-20-4-8-24(38-16-20)28-40-22-6-2-18(14-26(22)42-28)47-30(34,35)36/h1-8,13-16H,9-12H2,(H,39,41)(H,40,42)
Isómeros SMILES	C1=CC2=C(C=C1OC(F)(F)F)NC(=N2)C3=NC=C(C=C3)OCCOCCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F
PubChem CID	49806644
Peso molecular	660.52

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Phenol ethers Alkyl aryl ethers Pyridines and derivatives Imidazoles Heteroaromatic compounds Trihalomethanes Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Azole - Imidazole - Heteroaromatic compound - Trihalomethane - Dialkyl ether - Ether - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Halomethane - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors	Not available
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

Estructura 3D

Objetivos asociados (humanos)

Caco-2 (12174 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay 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

DMSO (mg/ml) Solubilidad máxima	100
DMSO (mM) Solubilidad máxima	151.3958699
Peso molecular	660.500 g/mol
XLogP3	6.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	12
Exact Mass	660.156 Da
Monoisotopic Mass	660.156 Da
Topological Polar Surface Area	129.000 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	913.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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