Isatin(NSC 9262) - Moligand™,≥98% , CAS No.91-56-5

CAS: 91-56-5 Cat. No.: I104665 Formula: C8H5NO2 Molecular Weight: 147.13 Beilstein Registry Number: 383659 EC Number: 202-077-8
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
NSC 9262 | 3-Indolinedione | 5-21-10-00221 (Beilstein Handbook Reference) | CHEBI:27539 | Isotin | 2,3-Indolinedione | AS-10908 | UNII-82X95S7M06 | AKOS000119125 | A843979 | DTXSID3038694 | InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11 | N
Storage
Room temperature,Desiccated
Shipped In
Normal
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Size
USA
Germany (EU)*
Price
Qty
25g
I104665-25g
1 In stock
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$15.90
100g
I104665-100g
3 In stock
1 In stock
$33.90
500g
I104665-500g
2 In stock
1 In stock
$98.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

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Storage & shipping

Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.

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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 30 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Isatin is an endogenous monoamine oxidase (MAO) inhibitor involved in stress and anxiety. Additionally, isatin inhibits alkaline phosphatase (ALP), nitric oxide (NO)-stimulated soluble guanylate cyclase, and other enzymes.
An endogenous monoamine oxidase inhibitor.

Application:

Isatin can be used as a reactant to prepare:
Phthalazinone derivatives.
Spirooxindole derivatives.
Agents against multidrug-resistant cells expressing P-glycoprotein.
Thiazolidinones spiro-fused to indolin-2-ones as potent and selective inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.
Triazole-isatine compounds as potential antibacterial and antifungal agents.
Biologically relevant scaffolds such as spiro[indole-thiazolidinones].
It can be a reactant for:
Cascade reactions with heterocyclic ketene aminals.
Knoevenagel condensation reactions.
Isatin can also be used as a chromatographic spray reagent for amino acids, and also as a reference material in the preparation of indigo and Maya Blue. It is responsible for the yellow color exhibited by the "Maya Yellow" pigment.
Isatin undergoes Pd(II)-catalyzed C-H addition by direct sp2/sp3 C-H bond activation to form 3-substituted-3-hydroxy-2-oxindoles. Isatin derivatives (bis-Schiff base) are synthesized by the condensation of the natural or synthetic isatins with hydrazine.

Specifications

Synonyms
NSC 9262 | 3-Indolinedione | 5-21-10-00221 (Beilstein Handbook Reference) | CHEBI:27539 | Isotin | 2,3-Indolinedione | AS-10908 | UNII-82X95S7M06 | AKOS000119125 | A843979 | DTXSID3038694 | InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11 | N
Specifications & Purity
Moligand™,≥98%
Biochemical and Physiological Mechanisms
Selective endogenous MAOB inhibitor and potent ANP receptor antagonist (IC 50 = 3-8 and 0.4 μM respectively). Inhibits alkaline phosphatase and (NO-stimulated soluble guanylate cyclase. Anxiolytic, sedative, anticonvulsant and antidiuretic effects in vivo
Storage
Room temperature,Desiccated
Shipped In
Normal
Grade
Moligand™
Action Type
INHIBITOR
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Pubchem Sid504751236
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751236
Canonical SmilesC1=CC=C2C(=C1)C(=O)C(=O)N2
IUPAC Name1H-indole-2,3-dione
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
INCHI1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
Isomeric SMILES C1=CC=C2C(=C1)C(=O)C(=O)N2
WGK Germany 1
RTECS NL7873000
Molecular Weight 147.13
Beilstein 383659
Reaxy-Rn 383659
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383659&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
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndolines
Intermediate Tree Nodes Not available
Direct ParentIndolines
Alternative Parents Aryl ketones  Benzenoids  Vinylogous amides  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dihydroindole - Aryl ketone - Benzenoid - Vinylogous amide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-N-SH (1499 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-937 (7138 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW-620 (52400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ASPC1 (1310 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DAO Tchem D-amino-acid oxidase (802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ttr Transthyretin (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALS Acetolactate synthase (354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meloidogyne incognita (862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Falcipain 2 (539 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

24 results found

Lot NumberCertificate TypeDateItem
D2610290Certificate of AnalysisMar 20, 2026 I104665
D2610292Certificate of AnalysisMar 20, 2026 I104665
D2610293Certificate of AnalysisMar 20, 2026 I104665
L2525111Certificate of AnalysisJan 04, 2026 I104665
L2106654Certificate of AnalysisSep 09, 2025 I104665
L2106653Certificate of AnalysisSep 09, 2025 I104665
L2106609Certificate of AnalysisSep 09, 2025 I104665
I2518268Certificate of AnalysisSep 08, 2025 I104665
I2518262Certificate of AnalysisSep 08, 2025 I104665
I2518260Certificate of AnalysisSep 08, 2025 I104665
I2518270Certificate of AnalysisSep 08, 2025 I104665
A2119237Certificate of AnalysisNov 15, 2024 I104665
J2014139Certificate of AnalysisAug 19, 2024 I104665
E2509340Certificate of AnalysisJul 03, 2024 I104665
E2509333Certificate of AnalysisJul 03, 2024 I104665
E2509334Certificate of AnalysisJul 03, 2024 I104665
E2509265Certificate of AnalysisJul 03, 2024 I104665
I2203306Certificate of AnalysisJul 07, 2022 I104665
I2203308Certificate of AnalysisJul 07, 2022 I104665
I2203307Certificate of AnalysisJul 07, 2022 I104665
I2203305Certificate of AnalysisJul 07, 2022 I104665
A2508228Certificate of AnalysisJul 07, 2022 I104665
B2308994Certificate of AnalysisOct 18, 2021 I104665
B2308085Certificate of AnalysisOct 18, 2021 I104665
Chemical and Physical Properties
SolubilitySoluble in water (1.9 g/l at 20 °C).
Flash Point(°F)428 ℉
Flash Point(°C)220°C
Melt Point(°C)203.5°C
Molecular Weight147.130 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass147.032 Da
Monoisotopic Mass147.032 Da
Topological Polar Surface Area46.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity212.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 91-56-5, the molecular formula is C8H5NO2, and the molecular weight is 147.13 g/mol. InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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