MedKoo Cat#: 128197 | Name: XYL-1
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Description:

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

XYL-1 is a highly potent inhibitor of PARP7 with and IC50 of 0.6 nM.

Chemical Structure

XYL-1
XYL-1
CAS#2946705-91-3

Theoretical Analysis

MedKoo Cat#: 128197

Name: XYL-1

CAS#: 2946705-91-3

Chemical Formula: C19H22F6N8O2

Exact Mass: 508.1770

Molecular Weight: 508.43

Elemental Analysis: C, 44.89; H, 4.36; F, 22.42; N, 22.04; O, 6.29

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 950.00 2 Weeks
100mg USD 1,650.00 2 Weeks
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Related CAS #
No Data
Synonym
XYL-1; XYL1; XYL 1
IUPAC/Chemical Name
N-(4-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-4-yl)amino)butyl)-4-(5-(trifluoromethyl)pyrimidin-2-yl)piperazine-1-carboxamide
InChi Key
NSSQRFYIKPFOFV-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H22F6N8O2/c20-18(21,22)12-9-28-16(29-10-12)32-5-7-33(8-6-32)17(35)27-4-2-1-3-26-13-11-30-31-15(34)14(13)19(23,24)25/h9-11H,1-8H2,(H,27,35)(H2,26,31,34)
SMILES Code
FC(F)(F)C(C=N1)=CN=C1N(CC2)CCN2C(NCCCCNC3=C(C(F)(F)F)C(NN=C3)=O)=O
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 508.43 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