CYP1B1-IN-5

Modify Date: 2025-08-26 21:18:24

CYP1B1-IN-5 structure	Common Name	CYP1B1-IN-5
	CAS Number	176442-56-1	Molecular Weight	349.12
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₄H₈INO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of CYP1B1-IN-5

CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1].

Name	CYP1B1-IN-5

Description	CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450
Target	CYP1B1:4.7 nM (IC50) CYP1A1:190.7 nM (IC50) CYP1A2:585.7 nM (IC50)
In Vitro	CYP1B1-IN-5 (Compound 6q) 通过与残基 Phe231、Phe134 和血红素形成 π-π 叠加相互作用，与 CYP1B1 的结合口袋结合[1]。
References	[1]. Yi L, et al. A new class of CYP1B1 inhibitors derived from bentranil. Bioorg Med Chem Lett. 2022 Dec 21;80:129112.

Molecular Formula	C₁₄H₈INO₂
Molecular Weight	349.12
InChIKey	WQHAEZGAZWZFHQ-UHFFFAOYSA-N
SMILES	O=c1oc(-c2ccc(I)cc2)nc2ccccc12

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