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tenapanor , CAS No.1234423-95-0, Inhibitor of Sodium/hydrogen exchanger 3

CAS#: 1234423-95-0
Formula: C₅₀H₆₆Cl₄N₈O₁₀S₂
Molecular Weight: 1145
PubChem CID: 71587953

Item Number

T614379

Grouped product items
SKU	Size	Availability	Price	Qty
T614379-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
T614379-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

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Sodium/hydrogen exchanger 3 Inhibitor

Basic Description

Synonyms	Tenapanor \| 1234423-95-0 \| AZD1722 \| AZD-1722 \| Tenapanor free base \| AZD 1722 \| RDX 5791 \| RDX-5791 \| KHK-7791 \| UNII-WYD79216A6 \| RDX5791 \| KHK7791 \| WYD79216A6 \| 3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(26-((3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrah
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Sodium/hydrogen exchanger 3

Associated Targets(Human)

SLC9A3 Tclin Sodium/hydrogen exchanger 3 (5 Activities)

Discover Target: SLC9A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC9A3 Tclin Sodium/hydrogen exchanger 3 (483 Activities)

Discover Target: SLC9A3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Colon (26 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[4-[2-[2-[2-[[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]sulfonylamino]ethoxy]ethoxy]ethylcarbamoylamino]butyl]urea
INCHI	InChI=1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
InChi Key	DNHPDWGIXIMXSA-CXNSMIOJSA-N
Canonical SMILES	CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)C5CN(CC6=C5C=C(C=C6Cl)Cl)C
Isomeric SMILES	CN1C[C@H](C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)[C@@H]5CN(CC6=C5C=C(C=C6Cl)Cl)C
PubChem CID	71587953
Molecular Weight	1145

PubChem CID

ChEMBL Ligand

CAS Registry No.

Wikipedia

DrugCentral Ligand

Safety and Hazards(GHS)

Pictogram(s)	GHS08
Signal	Warning
Hazard Statements	H371:May cause damage to organs
Precautionary Statements	P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P308+P316:IF exposed or concerned: Get emergency medical help immediately.

References

1. Spencer AG, Labonte ED, Rosenbaum DP, Plato CF, Carreras CW, Leadbetter MR, Kozuka K, Kohler J, Koo-McCoy S, He L et al.. (2014) Intestinal inhibition of the Na+/H+ exchanger 3 prevents cardiorenal damage in rats and inhibits Na+ uptake in humans.. Sci Transl Med, 6 (227): (227ra36). [PMID:24622516]
2. Thomas RH, Luthin DR. (2015) Current and emerging treatments for irritable bowel syndrome with constipation and chronic idiopathic constipation: focus on prosecretory agents.. Pharmacotherapy, 35 (6): (613-30). [PMID:26016701]
3. Zielińska M, Wasilewski A, Fichna J. (2015) Tenapanor hydrochloride for the treatment of constipation-predominant irritable bowel syndrome.. Expert Opin Investig Drugs, 24 (8): (1093-9). [PMID:26065434]

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tenapanor , CAS No.1234423-95-0, Inhibitor of Sodium/hydrogen exchanger 3

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Safety and Hazards(GHS)

Related Documents

References

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