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CYP1A1-IN-2

CYP1A1-IN-2 (Compound 14) is a competitive inhibitor of CYP1A1 (K_i: 1.4 μM). CYP1A1-IN-2 exhibits potent antimitotic activity and arrests cell in the G2/M phase. CYP1A1-IN-2 disrupts the microtubule and the cytoskeleton in CYP1A1-expressing breast cancer cells.

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No. CAS: 1422527-87-4
Fòrmula: C₂₃H₃₀N₂O₇S
Peso molecular:478.56

Almacenamiento:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (271 KB)

CYP1A1-IN-2 Chemical Structure

No. CAS: 1422527-87-4

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Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Actividad biológica
- Descripciòn
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Pureza y Documentación
Referencias
Calculators
Help & FAQs
Classifications
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Actividad biológica

Descripciòn

IC₅₀ & Target^[1]

CYP1A1

1.4 μM (Ki)

Ver todos los productos específicos de isoformas Cytochrome P450 :

Cellular Effect

Cell Line	Type	Value	Description	References
HT-1080	IC₅₀	30 nM Compound: 14	Antiproliferative activity against human HT-1080 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-1080	IC₅₀	4440 nM Compound: 14	Antiproliferative activity against human HT-1080 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-1080	IC₅₀	5900 nM Compound: 14	Antiproliferative activity against human HT-1080 cells transfected with empty vector assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-1080 cells transfected with empty vector assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
HT-29	IC₅₀	>12500 nM Compound: 14	Antiproliferative activity against human HT-29 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human HT-29 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
M21	IC₅₀	>12500 nM Compound: 14	Antiproliferative activity against human M21 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human M21 cells assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
MCF7	IC₅₀	200 nM Compound: 14	Antiproliferative activity against human MCF7 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay Antiproliferative activity against human MCF7 cells expressing CYP1A1 assessed as cell growth inhibition incubated for 48 hrs by sulforhodamine B assay	[PMID: 36780426]
MCF7	IC₅₀	38 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-positive human MCF7 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-positive human MCF7 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
MDA-MB-231	IC₅₀	8600 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-231 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-231 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
MDA-MB-468	IC₅₀	21 nM Compound: 14	Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-468 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR/HER2-negative human MDA-MB-468 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
SK-BR-3	IC₅₀	3.2 nM Compound: 14	Antiproliferative activity against ER/PR-negative HER2-positive human SK-BR-3 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR-negative HER2-positive human SK-BR-3 cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]
T47D	IC₅₀	1 μM Compound: 14	Antiproliferative activity against ER/PR-positive HER2-negative human T47D cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay Antiproliferative activity against ER/PR-positive HER2-negative human T47D cells assessed as cell growth inhibition incubated for 72 hrs by sulforhodamine B assay	[PMID: 36780426]

In Vitro

CYP1A1-IN-2 (Compound 14, 48 h) inhibits MCF-7 cell growth, with an IC₅₀ of 200 nM, and is inactive on MDA-MB-231 (IC₅₀ >8600 nM)^[1].
CYP1A1-IN-2 inhibits MDA-MB-468, SK-BR cell growth with IC₅₀s of 21 nM, 3.2 nM^[1].
CYP1A1-IN-2 (50 nM, 48 h) causes accumulation of the cells in the G2/M phase by 42%^[1].
CYP1A1-IN-2 shows high affinity for CYP1A1 (K_i: 1.4 μM)^[1].
CYP1A1-IN-2 selectively inhibits HT-1080 cell proliferation, with IC₅₀s of 30 nM for HT-1080 transfected withCYP1A1^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Viability Assay^[1]

Cell Line:

MCF-7 cell
Concentration:

50 nM
Incubation Time:

48 h
Result:

Arrested cell in G2/M phase.

In Vivo

CYP1A1-IN-2 (Compound 14) (1 μg/egg) shows antitumoral activities in the chick embryos bearing HT-1080CYP1A1 tumors^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Chick embryos grafted with HT-1080CYP1A1 cells^[1]
Dosage:

1 μg/egg
Administration:

Applied to chick chorioallantoic membrane.
Result:

Reduced tumor weight by 49%.

Chemical Information

No. CAS 1422527-87-4
Peso molecular 478.56
Fòrmula C₂₃H₃₀N₂O₇S
SMILES

CCCCCN1CCN(C2=CC=C(S(=O)(OC3=CC(OC)=C(C(OC)=C3)OC)=O)C=C2)C1=O
Envío

Room temperature in continental US; may vary elsewhere.
Almacenamiento

Please store the product under the recommended conditions in the Certificate of Analysis.

Pureza y Documentación

Select Batch:

Pureza: 99.98%

Assay: 99.98%

ee.: 99.98%

Ficha de datos (271 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Instrucciones de manejo (2659 KB)

Referencias

[1]. Chavez Alvarez AC, et al. Homologation of the Alkyl Side Chain of Antimitotic Phenyl 4-(2-Oxo-3-alkylimidazolidin-1-yl)benzenesulfonate Prodrugs Selectively Targeting CYP1A1-Expressing Breast Cancers Improves Their Stability in Rodent Liver Microsomes. J Med Chem. 2023 Feb 23;66(4):2477-2497. [Content Brief]

Calculators

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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MOQ

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100 mg

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Actividad biológica
- Descripciòn
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Pureza y Documentación
Referencias

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CYP1A1-IN-2

Ver todos los productos específicos de isoformas Cytochrome P450