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MedKoo Cat#: 465625 | Name: PARPYnD
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PARPYnD is a potent photoaffinity probe for poly(ADP-ribose) polymerase (PARP) (IC50 values for PARP2, PARP1 and PARP6 are 6, 38 and 230 nM, respectively). PARPYnD labels PARP1 and PARP2 in the cell when an N3 functionalized fluorescent probe is attached and can inhibit isolated PARP6.

Chemical Structure

PARPYnD
PARPYnD
CAS#2561483-27-8

Theoretical Analysis

MedKoo Cat#: 465625

Name: PARPYnD

CAS#: 2561483-27-8

Chemical Formula: C34H31N9O3

Exact Mass: 613.2550

Molecular Weight: 613.68

Elemental Analysis: C, 66.54; H, 5.09; N, 20.54; O, 7.82

Price and Availability

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2mg USD 600.00 2 Weeks
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Related CAS #
No Data
Synonym
PARPYnD; PARPY nD; PARPY-nD;
IUPAC/Chemical Name
3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(5-cyano-6-(4-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)pyridin-3-yl)propanamide
InChi Key
ZYWZRMXOMDKHKX-UHFFFAOYSA-N
InChi Code
InChI=1S/C34H31N9O3/c1-2-3-12-34(40-41-34)13-11-30(44)37-26-20-25(21-35)31(36-22-26)42-14-16-43(17-15-42)33(46)24-8-6-7-23(18-24)19-29-27-9-4-5-10-28(27)32(45)39-38-29/h1,4-10,18,20,22H,3,11-17,19H2,(H,37,44)(H,39,45)
SMILES Code
O=C(CCC1(CCC#C)N=N1)NC2=CN=C(N3CCN(CC3)C(C4=CC(CC5=NNC(C6=CC=CC=C56)=O)=CC=C4)=O)C(C#N)=C2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
DMSO 61.4 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 613.68 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Howard RT, Hemsley P, Petteruti P, Saunders CN, Molina Bermejo JA, Scott JS, Johannes JW, Tate EW. Structure-Guided Design and In-Cell Target Profiling of a Cell-Active Target Engagement Probe for PARP Inhibitors. ACS Chem Biol. 2020 Feb 21;15(2):325-333. doi: 10.1021/acschembio.9b00963. Epub 2020 Feb 10. PMID: 32017532; PMCID: PMC7146755. 2: Bejan, D. S., & Cohen, M. S. (2022). Methods for profiling the target and off-target landscape of PARP inhibitors. Current Research in Chemical Biology, 2, 100027.