DAO-IN-2 - Moligand™, ≥97% , CAS No.39793-31-2

CAS: 39793-31-2 Cat. No.: B301232 Formule: C7H5NO2S Poids moléculaire: 167.19 Numéro CE: 803-727-9
DISPONIBLE À COMMANDE
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. ≥97%
Synonyms
D-Amino acid oxidase inhibitor | 4h-Thieno[3,2-B]pyrole-5-Carboxylic Acid | MFCD07368542 | STK894042 | 4H-thieno[3,2-b]pyrrole-5-carboxylic acid | 4WL | SCHEMBL335632 | AKOS000265268 | BDBM50260725 | DTXSID60406887 | PMHDSACGRKBACK-UHFFFAOYSA-N | BBL01213
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
USA
Allemagne (EU)*
Price
Qty
100mg
B301232-100mg
Sur commande · 8–12 semaines

10,90$US

16,90$US
Enregistrer 6,00 $US (35.50%)
500mg
B301232-500mg
2 En stock
—

37,90$US

56,90$US
Enregistrer 19,00 $US (33.39%)
1g
B301232-1g
1 En stock
—

66,90$US

100,90$US
Enregistrer 34,00 $US (33.70%)
5g
B301232-5g
1 En stock
—

263,90$US

395,90$US
Enregistrer 132,00 $US (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥97% Moligand™ 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.

Vue d’ensemble

DAO-IN-2 is a novel D-amino acid oxidase (DAO) inhibitor. DAO-IN-2 demonstrates moderate potency for DAO in vitro and ex vivo.

Specifications

Synonymes
D-Amino acid oxidase inhibitor | 4h-Thieno[3,2-B]pyrole-5-Carboxylic Acid | MFCD07368542 | STK894042 | 4H-thieno[3,2-b]pyrrole-5-carboxylic acid | 4WL | SCHEMBL335632 | AKOS000265268 | BDBM50260725 | DTXSID60406887 | PMHDSACGRKBACK-UHFFFAOYSA-N | BBL01213
Spécifications et pureté
Moligand™, ≥97%
Conditions de stockage de stockage
Store at 2-8°C
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Pureté
≥97%
Noms et identifiants
Pubchem Sid528764086
Sourires canoniquesC1=CSC2=C1NC(=C2)C(=O)O
IUPAC Name4H-thieno[3,2-b]pyrrole-5-carboxylic acid
InChIKeyPMHDSACGRKBACK-UHFFFAOYSA-N
INCHI1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
Isomères SMILES C1=CSC2=C1NC(=C2)C(=O)O
Poids moléculaire 167.19
Reaxy-Rn 5004
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5004&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
ClasseThienopyrroles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThienopyrroles
Alternative Parents Pyrrole 2-carboxylic acids  Substituted pyrroles  Thiophenes  Heteroaromatic compounds  Carboxylic acids  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Substituted pyrrole - Pyrrole - Thiophene - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
DAO Tchem D-amino-acid oxidase (12 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DAO Tchem D-amino-acid oxidase (802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DDO Tchem D-aspartate oxidase (120 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cerebellum (165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc1a5 Amino acid transporter (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

8 results found

Lot NumberCertificate TypeDateArticle
C2507280Certificate of AnalysisNov 13, 2024 B301232
C2507281Certificate of AnalysisNov 13, 2024 B301232
C2507284Certificate of AnalysisNov 13, 2024 B301232
C2507285Certificate of AnalysisNov 13, 2024 B301232
C2507286Certificate of AnalysisNov 13, 2024 B301232
C2507287Certificate of AnalysisNov 13, 2024 B301232
C2511768Certificate of AnalysisNov 13, 2024 B301232
C2511769Certificate of AnalysisNov 13, 2024 B301232
Propriétés chimiques et physiques
Point de fusion (°C)201-205 °C
Poids moléculaire167.190 g/mol
XLogP31.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.004 Da
Monoisotopic Mass167.004 Da
Topological Polar Surface Area81.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity185.000
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
Calculateurs de solution
Avis

Avis des clients

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.