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

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
I345659
Grouped product items
SKU Size
Availability
 Price Qty
I345659-2mg
2mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$59.90
I345659-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$109.90
I345659-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$179.90
I345659-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$339.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

a potent indanyloxyacetic acid blocker of epithelial chloride channels

View related series
Chloride Channel (32) Ion channel (2197) Membrane Transporter/Ion Channel (1822)

Basic Description

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
Specifications & Purity ≥98%
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Indanes
Subclass Indanones
Intermediate Tree Nodes Not available
Direct Parent Indanones
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 Framework Aromatic 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
Description This 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

Product Properties

pKa pKa: 2.80
Ki Data mammalian skeletal muscle and epithelial chloride channel: Ki= 1 μM (bovine kidney cortex microsomes)

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pan troglodytes (415 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Felis catus (3858 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-[[(2S)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]oxy]acetic acid
INCHI InChI=1S/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
InChIKey RNOJGTHBMJBOSP-KRWDZBQOSA-N
Smiles CC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
Isomeric SMILES C[C@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
WGK Germany 3
Molecular Weight 357.23
Reaxy-Rn 1893792
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1893792&ln=

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

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

Chemical and Physical Properties

Solubility Soluble 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:.
Refractive Index n20D1.60 (Predicted)
Specific Rotation[α] α22/D +36.4°, c = 0.86 in methanol
Boil Point(°C) ~537.2° C at 760 mmHg (Predicted)
Melt Point(°C) 74-76° C
Molecular Weight 357.200 g/mol
XLogP3 5.100
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 356.058 Da
Monoisotopic Mass 356.058 Da
Topological Polar Surface Area 63.600 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 491.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Solution Calculators

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