4H-Thieno[3,2-b]pyrrole-5-carboxylic acid

Modify Date: 2025-08-25 21:53:57

4H-Thieno[3,2-b]pyrrole-5-carboxylic acid structure	Common Name	4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
	CAS Number	39793-31-2	Molecular Weight	167.19
	Density	1.6±0.1 g/cm3	Boiling Point	437.4±25.0 °C at 760 mmHg
	Molecular Formula	C₇H₅NO₂S	Melting Point	180ºC
	MSDS	N/A	Flash Point	218.3±23.2 °C

Use of 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid

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[1].

Name	4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
Synonym	More Synonyms

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[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease
References	[1]. Tim Sparey, et, al. The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors. Bioorg Med Chem Lett. 2008,18, 11.

Density	1.6±0.1 g/cm3
Boiling Point	437.4±25.0 °C at 760 mmHg
Melting Point	180ºC
Molecular Formula	C₇H₅NO₂S
Molecular Weight	167.19
Flash Point	218.3±23.2 °C
Exact Mass	167.004105
PSA	81.33000
LogP	3.24
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.786
InChIKey	PMHDSACGRKBACK-UHFFFAOYSA-N
SMILES	O=C(O)c1cc2sccc2[nH]1

HS Code	2934999090

Ethyl 4H-thieno...

CAS#:46193-76-4

~89%

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Cai, Hui; Carruthers, Nicholas I.; Dvorak, Curt A.; Edwards, James P.; Kwok, Annette K. Patent: US2004/48878 A1, 2004 ; Location in patent: Page/Page column 11 ; US 20040048878 A1

Methyl 4H-thien...

CAS#:82782-85-2

~83%

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Srinivasan, Selvi; Schuster, Gary B. Organic Letters, 2008 , vol. 10, # 17 p. 3657 - 3660

N/A

CAS#:101258-55-3

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Snyder et al. Journal of the American Chemical Society, 1957 , vol. 79, p. 2556,2558

2-Thiophenecarb...

CAS#:98-03-3

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Venable, Jennifer D.; Cai, Hui; Chai, Wenying; Dvorak, Curt A.; Grice, Cheryl A.; Jablonowski, Jill A.; Shah, Chandra R.; Kwok, Annette K.; Ly, Kiev S.; Pio, Barbara; Wei, Jianmei; Desai, Pragnya J.; Jiang, Wen; Nguyen, Steven; Ling, Ping; Wilson, Sandy J.; Dunford, Paul J.; Thurmond, Robin L.; Lovenberg, Timothy W.; Karlsson, Lars; Carruthers, Nicholas I.; Edwards, James P. Journal of Medicinal Chemistry, 2005 , vol. 48, # 26 p. 8289 - 8298

Ethyl azido-2-t...

CAS#:1056976-66-9

4H-Thieno[3,2-b...

CAS#:39793-31-2

N-Boc-3-amino-2...

CAS#:368442-47-1

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Whittamore, Paul R.O.; Addie, Matthew S.; Bennett, Stuart N.L.; Birch, Alan M.; Butters, Michael; Godfrey, Linda; Kenny, Peter W.; Morley, Andrew D.; Murray, Paul M.; Oikonomakos, Nikos G.; Otterbein, Ludovic R.; Pannifer, Andrew D.; Parker, Jeremy S.; Readman, Kristy; Siedlecki, Pawel S.; Schofield, Paul; Stocker, Andy; Taylor, Melvyn J.; Townsend, Linda A.; Whalley, David P.; Whitehouse, Jennifer Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 21 p. 5567 - 5571

N-acetyl-N-(2-f...

CAS#:67268-40-0

4H-Thieno[3,2-b...

CAS#:39793-31-2

Literature: Soth,S. et al. Canadian Journal of Chemistry, 1978 , vol. 56, p. 1429 - 1434

Precursor 5
CAS#:46193-76-4 Ethyl 4H-thieno... CAS#:82782-85-2 Methyl 4H-thien... CAS#:98-03-3 2-Thiophenecarb... CAS#:1056976-66-9 Ethyl azido-2-t...
CAS#:67268-40-0 N-acetyl-N-(2-f...
DownStream 4
CAS#:46193-76-4 Ethyl 4H-thieno... CAS#:182553-05-5 4h-thieno[3,2-b... CAS#:82782-85-2 Methyl 4H-thien... CAS#:250-94-2 4H-thieno[3,2-b...

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Name: Efflux ratio of permeability from apical to basolateral over basolateral to apical si...
Source: ChEMBL
Target: Caco-2
External Id: CHEMBL1832264

Name: Binding affinity to human recombinant DAAO assessed as drug-enzyme complex half life
Source: ChEMBL
Target: D-amino-acid oxidase
External Id: CHEMBL1832112

Name: Octanol-water partition coefficient, log P of the neutral compound by pH-metric metho...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1832114

Name: Dissociation constant, pKa of the compound by dip probe absorption spectroscopy techn...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1832113

Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582

Name: Ratio of drug level (0 to last) in brain to plasma in Swiss mouse at 10 mg/kg, po
Source: ChEMBL
Target: Nucleic Acid
External Id: CHEMBL1832277

Name: Oral bioavailability (0 to last) in Wistar rat plasma at 10 mg/kg
Source: ChEMBL
Target: Plasma
External Id: CHEMBL1832279

Name: Drug metabolism in mouse liver microsomes assessed as glucuronidation of compound mea...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3384562

Name: Oral bioavailability (0 to last) in Swiss mouse plasma at 10 mg/kg
Source: ChEMBL
Target: Plasma
External Id: CHEMBL1832281

Name: Tmax in Wistar rat brain at 10 mg/kg, po
Source: ChEMBL
Target: Brain
External Id: CHEMBL1832384

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4H-Thieno[3,2-b]pyrrole-5-carboxylic acid

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4H-Thieno[3,2-b]pyrrole-5-carboxylic acid

Use of 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid

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Biological Activity

Chemical & Physical Properties

Safety Information

Synthetic Route

Precursor & DownStream

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Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.