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4H-Thieno[3,2-b]pyrrole-5-carboxylic acid - 97%, high purity , CAS No.39793-31-2

COA COA
In stock
Item Number
B301232
Grouped product items
SKU Size
Availability
 Price Qty
B301232-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$12.90
B301232-500mg
500mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$49.90
B301232-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$79.90
B301232-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$359.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Amino Acid/Protein Metabolism (1836) Pyrrole compounds (47)

Basic Description

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
Specifications & Purity Moligand™, ≥97%
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.
Grade Moligand™
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Thienopyrroles
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Thienopyrroles
Alternative Parents Pyrrole 2-carboxylic acids  Substituted pyrroles  Thiophenes  Heteroaromatic compounds  Carboxylic acids  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic 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
Description This 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

Associated Targets(Human)

DAO Tchem D-amino-acid oxidase (12 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DAO Tchem D-amino-acid oxidase (802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DDO Tchem D-aspartate oxidase (120 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 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
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Brain (1 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cerebellum (165 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slc1a5 Amino acid transporter (271 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 4H-thieno[3,2-b]pyrrole-5-carboxylic acid
INCHI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey PMHDSACGRKBACK-UHFFFAOYSA-N
Smiles C1=CSC2=C1NC(=C2)C(=O)O
Isomeric SMILES C1=CSC2=C1NC(=C2)C(=O)O
Molecular Weight 167.19
Reaxy-Rn 5004
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5004&ln=

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.

8 results found

Lot Number Certificate Type Date Item
C2511768 Certificate of Analysis Nov 13, 2024 B301232
C2507280 Certificate of Analysis Nov 13, 2024 B301232
C2507281 Certificate of Analysis Nov 13, 2024 B301232
C2507284 Certificate of Analysis Nov 13, 2024 B301232
C2507285 Certificate of Analysis Nov 13, 2024 B301232
C2507286 Certificate of Analysis Nov 13, 2024 B301232
C2507287 Certificate of Analysis Nov 13, 2024 B301232
C2511769 Certificate of Analysis Nov 13, 2024 B301232

Chemical and Physical Properties

Melt Point(°C) 201-205 °C
Molecular Weight 167.190 g/mol
XLogP3 1.700
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 167.004 Da
Monoisotopic Mass 167.004 Da
Topological Polar Surface Area 81.300 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 185.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Alternative Products

  1. no_selection
    Methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
    • ≥97%

    Starting at $24.90

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