MedKoo Cat#: 408186 | Name: Zunsemetinib M-atropisomer
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Description:

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

Zunsemetinib M-atropisomer is the inactive isomer of Zunsemetinib. Zunsemetinib, also known as ATI-450 and CDD450, is the P-atropisomer and is a potent MK2 Inhibitor. ATI-450 binds with high affinity to the interface of the p38MAPK-MK2 complex and selectively inhibits p38MAPK-catalysed phosphorylation of MK2 which stabilises the inactive conformation of MK2, and subsequently reduces inflammatory cytokine levels. ATI-450 specifically blocks the downstream MK2-mediated inflammatory drive on the p38 pathway and may therefore avoid the tachyphylaxis associated with p38 inhibitors. Note CAS#1640282-42-3 is the active P-atropisomer. CAS# 1640282-44-5 is the inactive M-astropisomer.

Chemical Structure

Zunsemetinib M-atropisomer
Zunsemetinib M-atropisomer
CAS#1640282-44-5 (M-atropisomer)

Theoretical Analysis

MedKoo Cat#: 408186

Name: Zunsemetinib M-atropisomer

CAS#: 1640282-44-5 (M-atropisomer)

Chemical Formula: C25H22ClF2N5O3

Exact Mass: 513.1379

Molecular Weight: 513.93

Elemental Analysis: C, 58.43; H, 4.31; Cl, 6.90; F, 7.39; N, 13.63; O, 9.34

Price and Availability

Size Price Availability Quantity
1mg USD 150.00 Ready to Ship
5mg USD 550.00 Ready to Ship
10mg USD 950.00 Ready to Ship
25mg USD 1,650.00 Ready to Ship
50mg USD 2,950.00 Ready to Ship
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Related CAS #
Synonym
Zunsemetinib M-atropisomer; (M)-ATI-450; ATI-450 M-atropisomer; ATI-450; ATI450; ATI 450; CDD-450 M-atropisomer ; CDD 450; CDD450;
IUPAC/Chemical Name
[1(2H),4′-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2′-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5′,6-dimethyl-, (2′R)-
InChi Key
FQPQMJULRZINPV-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H22ClF2N5O3/c1-13-10-30-18(17-5-6-29-24(32-17)25(3,4)35)9-20(13)33-14(2)7-21(22(26)23(33)34)36-12-19-16(28)8-15(27)11-31-19/h5-11,35H,12H2,1-4H3
SMILES Code
O=C1C(Cl)=C(OCC2=NC=C(F)C=C2F)C=C(C)N1C3=CC(C4=NC(C(C)(O)C)=NC=C4)=NC=C3C
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 513.93 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: Grierson PM, Dodhiawala PB, Cheng Y, Chen TH, Khawar IA, Wei Q, Zhang D, Li L, Herndon J, Monahan JB, Ruzinova MB, Lim KH. The MK2/Hsp27 axis is a major survival mechanism for pancreatic ductal adenocarcinoma under genotoxic stress. Sci Transl Med. 2021 Dec;13(622):eabb5445. doi: 10.1126/scitranslmed.abb5445. Epub 2021 Dec 1. PMID: 34851698; PMCID: PMC9475471. 2: Gordon D, Hellriegel ET, Hope HR, Burt D, Monahan JB. Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the MK2 Inhibitor ATI-450 in Healthy Subjects: A Placebo-Controlled, Randomized Phase 1 Study. Clin Pharmacol. 2021 Jun 10;13:123-134. doi: 10.2147/CPAA.S305308. PMID: 34140814; PMCID: PMC8203602.