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Cat. No.: HY-148592

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Antitumor agent-87

Antitumor agent-87 is a potent antitumor agent. Antitumor agent-87 shows a high affinity for CYP1A1 with a K_i value of 0.23 µM. Antitumor agent-87 shows antiproliferative activity. Antitumor agent-87 induces cell cycle arrest at the G2/M phase. Antitumor agent-87 show antitumoral activity.

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CAS No.: 1422527-88-5
화학식: C₂₂H₂₈N₂O₆S
분자량:448.53

보관:

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

Data Sheet (271 KB)

Antitumor agent-87 Chemical Structure

CAS No.: 1422527-88-5

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Use of MCE Products

Fluorescent Dye

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

Biological Activity
- 제품 설명
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
순도&문서
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

제품 설명

IC₅₀ & Target^[1]

CYP1A1

0.23 μM (Ki)

All Cytochrome P450 Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
HT-1080	IC₅₀	500 nM Compound: 10	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	6800 nM Compound: 10	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	8800 nM Compound: 10	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: 10	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: 10	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	43 nM Compound: 10	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]
MCF7	IC₅₀	600 nM Compound: 10	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]
MDA-MB-231	IC₅₀	>12500 nM Compound: 10	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	210 nM Compound: 10	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	79 nM Compound: 10	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	1100 nM Compound: 10	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

Antitumor agent-87 (compound 10) shows half-lives (t1/2) of 70, 44, 107 min in human liver microsomes, mouse liver microsomes and rat liver microsomes, respectively^[1].
Antitumor agent-87 (1250 nM) induces cell cycle arrest at G2/M phase^[1].
Antitumor agent-87 (0-12500 nM; 72 h) shows antiproliferative activity with IC₅₀s of 500, 8800, 6800, >12500, 210, 1100, 79, 43 nM for HT-1080^CYP1A1, HT-1080^empty, HT-1080, MDA-MB-231, MDA-MB-468, T47D, SK-BR-3, and MCF7 cells, respectively^[1].

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

Cell Proliferation Assay^[1]

Cell Line:

MCF7, HT-29, M21 cells
Concentration:

0-12500 nM
Incubation Time:

48 h
Result:

Showed antiproliferative activity with IC₅₀s of 600, >12500, >12500 nM for MCF7, HT-29, M21 cells, respectively.

Cell Cycle Analysis^[1]

Cell Line:

MCF7 cells
Concentration:

1250 nM
Incubation Time:
Result:

Induced the accumulation of the cells in the G2/M phase of 57% and induced disruptions of the cytoskeleton of MCF7 cells.

In Vivo

Antitumor agent-87 (0.1 µg/egg) shows antitumor activity in chick embryos^[1].

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

Animal Model:

chick embryos (HT-1080^CYP1A1, HT-1080^empty, HT-1080 cells)^[1]
Dosage:

0.1 µg/egg
Administration:
Result:

Did not show statistically significant antitumor activity on grafted cell lines devoid of CYP1A1 (HT-1080 and HT-1080empty), showed antitumoral inhibition of 29% on the grafted HT-1080^CYP1A1.

Chemical Information

CAS No. 1422527-88-5
분자량 448.53
화학식 C₂₂H₂₈N₂O₆S
SMILES

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

Room temperature in continental US; may vary elsewhere.
보관

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

순도&문서

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (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)
Handling Instructions (2659 KB)

References

[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

몰농도 계산기

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

농도 희석 계산기

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Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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.

Keywords

100 mg

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Biological Activity
- 제품 설명
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
순도&문서
References

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Antitumor agent-87

All Cytochrome P450 Isoforms

Biological Activity

Chemical Information

순도&문서

References

Calculators

Help & FAQs

Antitumor agent-87 Related Classifications

HY-148592 Related Classifications