ChemicalBook--->CAS DataBase List--->2739866-40-9

2739866-40-9

2739866-40-9 Structure

2739866-40-9 Structure
IdentificationBack Directory
[Name]

ALK-IN-27
[CAS]

2739866-40-9
[Synonyms]

ALK-IN-27
(R)-1-chloro-3-ethyl-12-fluoro-10,16-dimethyl-3,10,16,18-tetrahydro-4,8-(metheno)benzo[l]dipyrazolo[3,4-g:4',3'-j][1]oxa[4]azacyclotetradecin-7-amine
[Molecular Formula]

C23H22ClFN6O
[MOL File]

2739866-40-9.mol
[Molecular Weight]

452.91
Chemical PropertiesBack Directory
[Boiling point ]

685.0±55.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
[form ]

Solid
[pka]

7.11±0.40(Predicted)
[color ]

White to off-white
[InChIKey]

FWZSCAQEBTVTOM-GFCCVEGCSA-N
[SMILES]

C(N1N=C(C2CC3=CN(N=C3C3=CC=C(C=C3[C@H](OC3=C(N=CC(=C3)C=21)N)C)F)C)Cl)C
Hazard InformationBack Directory
[Uses]

Neladalkib (NVL-655) is an oral ALK inhibitor, the IC50 for Neladalkib in inhibiting ALK is 2.8 nM. Neladalkib promotes cell apoptosis and has anti-tumor activity[1][2].
[in vivo]

Neladalkib (0.06-1.5 mg/kg, orally, twice daily, days 0-28) has antitumor activity in mice[2].

Animal Model:ALK-driven tumor xenografts in mice[2]
Dosage:0.06, 0.2, 0.5, 1.5 mg/kg
Administration:Oral
Result:Inhibited tumor proliferation.
[References]

[1] Jennifer Anne Green, et al. Methods of treating solid tumor using (19r)-5-chloro-3-ethyl-16-fluoro-10,19-dimethyl-20-oxa-3,4,10,11,23-pentaazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2(6),4,8,11,13,15,17,21(25),22-decaen-22-amine. WO2023196910A1.
[2] Jessica J Lin, et al. NVL-655 Is a Selective and Brain-Penetrant Inhibitor of Diverse ALK-Mutant Oncoproteins, Including Lorlatinib-Resistant Compound Mutations. Cancer Discov. 2024 Sep 13:OF1-OF20. DOI:10.1158/2159-8290.CD-24-0231
Spectrum DetailBack Directory
[Spectrum Detail]

ALK-IN-27(2739866-40-9)1HNMR
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