N-Descyclopropanecarbaldehyde Olaparib

Name: N-Descyclopropanecarbaldehyde Olaparib
Brand: MedChemExpress
SKU: HY-75706
Rating: 4.5 (1 reviews)

Cat. No.: HY-75706 Purity: 99.27%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

N-Descyclopropanecarbaldehyde Olaparib is an analogue of Olaparib (HY-10162) containing DOTA moiety. N-Descyclopropanecarbaldehyde Olaparib is a PARP inhibitor used for synthesizing novel dual EGFR and PARP PROTAC, DP-C-4. N-Descyclopropanecarbaldehyde Olaparib can be radiolabeled F-18 or fluorophore for positron emission tomography (PET) or optical imaging in several types of tumor.

For research use only. We do not sell to patients.

N-Descyclopropanecarbaldehyde Olaparib Chemical Structure

CAS No. : 763111-47-3

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 55	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 55	In-stock	Estimated Time of Arrival: December 31
Solid
250 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 70	In-stock	Estimated Time of Arrival: December 31
1 g	USD 95	In-stock	Estimated Time of Arrival: December 31
5 g		Get quote
10 g		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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•Related Screening Libraries:

•Related Small Molecules:

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View All PARP Isoform Specific Products:

View All Isoforms

PARP PARP1 PARP2 PARP3 PARP4 TNKS1/PARP5A TNKS2/PARP5B PARP7 PARP10 PARP14 PARP15 PARP12 PARP16

Biological Activity
Purity & Documentation
References
Customer Review

Description

N-Descyclopropanecarbaldehyde Olaparib is an analogue of Olaparib (HY-10162) containing DOTA moiety. N-Descyclopropanecarbaldehyde Olaparib is a PARP inhibitor used for synthesizing novel dual EGFR and PARP PROTAC, DP-C-4^[1]. N-Descyclopropanecarbaldehyde Olaparib can be radiolabeled F-18 or fluorophore for positron emission tomography (PET) or optical imaging in several types of tumor^[2].

IC₅₀ & Target^[1]

PARP

Cellular Effect

Cell Line	Type	Value	Description	References
DLD-1	EC₅₀	> 100 μM Compound: 2f	Antiproliferative activity against human DLD1 cells by Celltiter-Glo assay Antiproliferative activity against human DLD1 cells by Celltiter-Glo assay	[PMID: 31303996]
DLD-1	EC₅₀	0.2 μM Compound: 2f	Antiproliferative activity against BRCA deficient human DLD1 cells by Celltiter-Glo assay Antiproliferative activity against BRCA deficient human DLD1 cells by Celltiter-Glo assay	[PMID: 31303996]
HeLa	IC₅₀	< 20 nM Compound: 96l	Inhibition of human HeLa cell derived PARP preincubated for 10 mins followed by NAD and double stranded DNA-oligos addition and measured after 45 mins by scintillation counting Inhibition of human HeLa cell derived PARP preincubated for 10 mins followed by NAD and double stranded DNA-oligos addition and measured after 45 mins by scintillation counting	[PMID: 31401008]

Molecular Weight

366.39

Formula

C₂₀H₁₉FN₄O₂

CAS No.

763111-47-3

Appearance

Solid

Color

White to off-white

SMILES

O=C1NN=C(CC2=CC=C(F)C(C(N3CCNCC3)=O)=C2)C4=C1C=CC=C4

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (272.93 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : < 0.1 mg/mL (insoluble)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.7293 mL	13.6467 mL	27.2933 mL
5 mM	0.5459 mL	2.7293 mL	5.4587 mL
10 mM	0.2729 mL	1.3647 mL	2.7293 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Dilution Calculator

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

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (6.82 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (6.82 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (6.82 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.27%

Select Batch:

Data Sheet (273 KB) SDS (393 KB)

COA (249 KB) HNMR (127 KB) LCMS (292 KB)

Handling Instructions (2659 KB)

References

[1]. Tao Huang, et al. Initial evaluation of Cu-64 labeled PARPi-DOTA PET imaging in mice with mesothelioma. Bioorg Med Chem Lett. 2017 Aug 1;27(15):3472-3476. [Content Brief]

[2]. Mengzhu Zheng, et al. Rational Design and Synthesis of Novel Dual PROTACs for Simultaneous Degradation of EGFR and PARP. J Med Chem. 2021 May 26. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.7293 mL	13.6467 mL	27.2933 mL	68.2333 mL
	5 mM	0.5459 mL	2.7293 mL	5.4587 mL	13.6467 mL
	10 mM	0.2729 mL	1.3647 mL	2.7293 mL	6.8233 mL
	15 mM	0.1820 mL	0.9098 mL	1.8196 mL	4.5489 mL
	20 mM	0.1365 mL	0.6823 mL	1.3647 mL	3.4117 mL
	25 mM	0.1092 mL	0.5459 mL	1.0917 mL	2.7293 mL
	30 mM	0.0910 mL	0.4549 mL	0.9098 mL	2.2744 mL
	40 mM	0.0682 mL	0.3412 mL	0.6823 mL	1.7058 mL
	50 mM	0.0546 mL	0.2729 mL	0.5459 mL	1.3647 mL
	60 mM	0.0455 mL	0.2274 mL	0.4549 mL	1.1372 mL
	80 mM	0.0341 mL	0.1706 mL	0.3412 mL	0.8529 mL
	100 mM	0.0273 mL	0.1365 mL	0.2729 mL	0.6823 mL