MedKoo Cat#: 127553 | Name: AD1058

Description:

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

AD1058 is a highly potent and selective ATR inhibitor (IC50=1.6 nM) with good preclinical pharmacokinetic profiles. AD1058 exhibits superior efficacy in inhibiting cell proliferation, disrupting the cell cycle, and inducing apoptosis compared to AZD6738. AD1058 displays potent antitumor effects as a single agent or in combination with clinically approved tumor therapies such as PARP inhibitors, ionizing radiotherapy, or chemotherapy in vivo. Considering its enhanced ability to permeate the blood−brain barrier, AD1058 is a promising clinical candidate for the treatment of brain metastases and leptomeningeal metastases in solid tumors.

Chemical Structure

AD1058
AD1058
CAS#2907782-78-7

Theoretical Analysis

MedKoo Cat#: 127553

Name: AD1058

CAS#: 2907782-78-7

Chemical Formula: C19H20N6O3S

Exact Mass: 412.1318

Molecular Weight: 412.47

Elemental Analysis: C, 55.33; H, 4.89; N, 20.38; O, 11.64; S, 7.77

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
AD1058; AD-1058; AD 1058
IUPAC/Chemical Name
(R)-3-methyl-4-(7-(methylsulfonyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
InChi Key
IJEDYDGSAXSVPY-GFCCVEGCSA-N
InChi Code
InChI=1S/C19H20N6O3S/c1-12-11-28-10-9-24(12)18-15-5-8-25(29(2,26)27)19(15)23-17(22-18)14-4-7-21-16-13(14)3-6-20-16/h3-8,12H,9-11H2,1-2H3,(H,20,21)/t12-/m1/s1
SMILES Code
C[C@H]1N(C2=NC(C3=CC=NC4=C3C=CN4)=NC5=C2C=CN5S(=O)(C)=O)CCOC1
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 412.47 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
Liu Z, Jiang K, Liu Y, Li J, Huang S, Li P, Xu L, Xu X, Hu X, Zeng X, Huang Z, Zhou Y, Li J, Long K, Wang M. Discovery of Preclinical Candidate AD1058 as a Highly Potent, Selective, and Brain-Penetrant ATR Inhibitor for the Treatment of Advanced Malignancies. J Med Chem. 2024 Jul 25. doi: 10.1021/acs.jmedchem.4c00734. Epub ahead of print. PMID: 39053006.