MedKoo Cat#: 128591 | Name: YY2201

Description:

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

YY2201 is a highly potent and selective novel ATR inhibitor, with favorable ADME, safety pharmacology, and pharmacokinetics profiles. YY2201 efficiently inhibits tumor progression in broad-spectrum cancer types, both in vitro and in vivo. YY2201 shows superior in vivo anticancer efficacy and a better therapeutic index compared to AZD6738 in a lung cancer xenograft model. YY2201 also exhibits potent cancer suppression effects in combination with chemotherapy in vivo.

Chemical Structure

YY2201
YY2201
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 128591

Name: YY2201

CAS#: N/A

Chemical Formula: C29H29N9O5

Exact Mass: 583.2292

Molecular Weight: 583.61

Elemental Analysis: C, 59.68; H, 5.01; N, 21.60; O, 13.71

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
YY2201; YY 2201; YY-2201
IUPAC/Chemical Name
3-(7-(3,5-dimethyl-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane fumarate
InChi Key
BOXUYVBYBMEUMT-WLHGVMLRSA-N
InChi Code
InChI=1S/C25H25N9O.C4H4O4/c1-15-24(16(2)33(31-15)17-4-3-8-26-11-17)22-10-23(32-13-18-5-6-19(14-32)35-18)29-25-20(12-28-34(22)25)21-7-9-27-30-21;5-3(6)1-2-4(7)8/h3-4,7-12,18-19H,5-6,13-14H2,1-2H3,(H,27,30);1-2H,(H,5,6)(H,7,8)/b;2-1+
SMILES Code
CC1=C(C2=CC(N3CC4OC(CC4)C3)=NC5=C(C6=CC=NN6)C=NN25)C(C)=NN1C7=CC=CN=C7.O=C(O)/C=C/C(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 583.61 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
Wu M, Chen X, Wang H, Li C, Liu W, Zheng X, Yang J, Ye X, Weng Y, Fan T, Hou H. Discovery of the Clinical Candidate YY2201 as a Highly Potent and Selective ATR Inhibitor. J Med Chem. 2025 Mar 3. doi: 10.1021/acs.jmedchem.4c02380. Epub ahead of print. PMID: 40029060.