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R(+)-IAA-94 - ≥98% , CAS No.54197-31-8

CAS: 54197-31-8 Cat. No.: I345659 Peso molecular: 357.23
COA
R(+)-IAA-94 - ≥98% CAS No(54197-31-8) by Aladdin Scientific
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
R(+)-Methylindazone | (S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)aceticacid | CHEBI:34794 | KBioSS_000075 | KBioGR_000075 | R(+)-IAA-94 | NCGC00094034-03 | Bio1_001058 | CBiol_001794 | KBio2_000075 | HMS1791D17 | KBio3
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Estado
Price
Qty
2mg
I345659-2mg
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33,90US$

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5mg
I345659-5mg
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73,90US$

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10mg
I345659-10mg
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119,90US$

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25mg
I345659-25mg
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
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
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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

IAA-94 is an indanyloxyacetic acid blocker of epithelial chloride channels. IAA-94 has been employed in modulating chloride channel function to probe the dynamics and function of the channels. The high affinity of IAA-94 for the chloride channel has been exploited for isolation and reconstitution of these proteins.

Specifications

Sinónimos
R(+)-Methylindazone | (S)-2-((6, 7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2, 3-dihydro-1H-inden-5-yl)oxy)aceticacid | CHEBI:34794 | KBioSS_000075 | KBioGR_000075 | R(+)-IAA-94 | NCGC00094034-03 | Bio1_001058 | CBiol_001794 | KBio2_000075 | HMS1791D17 | KBio3
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Propiedades del producto
pKapKa: 2.80
Datos Kimammalian skeletal muscle and epithelial chloride channel: Ki= 1 μM (bovine kidney cortex microsomes)
Nombres e identificadores
Sonrisas canónicasCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
IUPAC Name2-[[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
InChIKeyRNOJGTHBMJBOSP-KRWDZBQOSA-N
INCHI1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m0/s1
Isómeros SMILES C[C@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
WGK Alemania 3
Peso molecular 357.23
Reaxy-Rn 1893792
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1893792&ln=

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
ClaseIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Phenoxyacetic acid derivatives  Aryl alkyl ketones  Alkyl aryl ethers  Aryl chlorides  Vinylogous halides  Monocarboxylic acids and derivatives  Carboxylic acids  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Phenoxyacetate - Indanone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl chloride - Aryl halide - Vinylogous halide - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors indanones
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pan troglodytes (415 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Felis catus (3858 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 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
SolubilidadSoluble in DMSO (25 mg/ml), ethanol (20 mg/ml), water (0.2 mg/ml), and 0.1 M NaOH (2.8 mg/ml). Insoluble in dilute aqueous acid:.
Índice de refracciónn20D1.60 (Predicted)
Rotación específica [α]α22/D +36.4°, c = 0.86 in methanol
Punto de ebullición (°C)~537.2° C at 760 mmHg (Predicted)
Punto de fusión (°C)74-76° C
Peso molecular357.200 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass356.058 Da
Monoisotopic Mass356.058 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count23
Formal Charge0
Complexity491.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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