N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide , CAS No.N608973

Item Number

N608973

Grouped product items
SKU	Size	Availability	Price	Qty
N608973-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
N608973-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

Specifications & Purity

Moligand™

Grade

Moligand™

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

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

CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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

Names and Identifiers

INCHI	InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1
InChi Key	CQKVACARDGYEMU-VWLOTQADSA-N
Canonical SMILES	n1(nccc1C(=O)N[C@@H](C(C1CC1)C1CC1)C(=O)Nc1ccc(cc1)c1c([nH]nc1C)C)C(C)C
Isomeric SMILES	CC1=C(C(=NN1)C)C2=CC=C(C=C2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)C5=CC=NN5C(C)C
PubChem CID	153616520

PubChem CID

RCSB PDB Ligand

References

1. Lipinski CA. (2004) Lead- and drug-like compounds: the rule-of-five revolution.. Drug Discov Today Technol, 1 (4): (337-41). [PMID:24981612] [10.1021/op500134e]
2. Andrews MD, Dack KN, de Groot MJ, Lambert M, Sennbro CJ, Larsen M, Stahlhut M. (2022) Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases.. J Med Chem, 71 (13): (1755-70). [PMID:35767390] [10.1021/acs.jmedchem.2c00422]

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Basic Description