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Cytochrome P450
(R)-N-(1-(3-Chloro-4′-fluoro-[1,1′-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide , CAS No.R608644, Inhibitor of CYP51A1

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(R)-N-(1-(3-Chloro-4′-fluoro-[1,1′-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide , CAS No.R608644, Inhibitor of CYP51A1

Moligand™

PubChem CID: 139592939

Item Number

R608644

Grouped product items
SKU	Size	Availability	Price	Qty
R608644-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
R608644-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

CYP51A1 Inhibitor

Basic Description

Synonyms	compound 10
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of CYP51A1

Associated Targets(Human)

CYP51A1 Tchem Lanosterol 14-alpha demethylase (1 Activities)

Discover Target: CYP51A1

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

Associated Targets(non-human)

ERG11 Cytochrome P450 51 (617 Activities)

Discover Target: ERG11

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

Names and Identifiers

IUPAC Name	(R)-N-(1-(3-Chloro-4′-fluoro-[1,1′-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
INCHI	InChI=1S/C36H23ClF3N7O2/c37-30-16-24(21-5-8-27(38)9-6-21)7-10-29(30)32(18-47-12-11-41-20-47)44-34(48)22-1-3-23(4-2-22)35-45-46-36(49-35)26-13-25(14-28(39)15-26)33-31(40)17-42-19-43-33/h1-17,19-20,32H,18H2,(H,44,48)/t32-/m0/s1
InChi Key	ZSDQWZVUVIKSDR-YTTGMZPUSA-N
Canonical SMILES	Fc1cc(cc(c1)c1ncncc1F)c1nnc(o1)c1ccc(cc1)C(=O)N[C@H](c1ccc(cc1Cl)c1ccc(cc1)F)Cn1ccnc1
Isomeric SMILES	C1=CC(=CC=C1C2=NN=C(O2)C3=CC(=CC(=C3)C4=NC=NC=C4F)F)C(=O)N[C@@H](CN5C=CN=C5)C6=C(C=C(C=C6)C7=CC=C(C=C7)F)Cl
PubChem CID	139592939

Database links

RCSB PDB Ligand	PJM
PubChem CID	139592939

Certificates

Certificate of Analysis(COA)

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References

1. Friggeri L, Hargrove TY, Wawrzak Z, Guengerich FP, Lepesheva GI. (2019) Validation of Human Sterol 14α-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.. J Med Chem, 62 (22): (10391-10401). [PMID:31663733]

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