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

CAS: 39793-31-2 Cat. No.: B301232 Peso molecular: 167.19 Número EC: 803-727-9
Disponible para pedir
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
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
B301232-100mg
1

10,90US$

16,90US$
Guardar 6,00 US$ (35.50%)
500mg
B301232-500mg
2

37,90US$

56,90US$
Guardar 19,00 US$ (33.39%)
1g
B301232-1g
1

66,90US$

100,90US$
Guardar 34,00 US$ (33.70%)
5g
B301232-5g
1

263,90US$

395,90US$
Guardar 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.

Descripción general

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

Sinónimos
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
Especificaciones y pureza
Moligand™, ≥97%
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.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1=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)
Isómeros SMILES C1=CSC2=C1NC(=C2)C(=O)O
Peso molecular 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
ClaseThienopyrroles
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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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
Objetivos asociados (no humanos)
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
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 TypeFechaArticulo
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
Propiedades químicas y físicas
Punto de fusión (°C)201-205 °C
Peso molecular167.190 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
Calculadoras de soluciones
Reseñas

Reseñas de cliente

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