| Identification | Back Directory | [Name]
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-4-yl]-2-propyn-1-yl]oxy]-1-piperidinyl]methyl]cyclohexyl]-1H-pyrazol-4-yl]-5-(1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl- | [CAS]
2432994-31-3 | [Synonyms]
PROTAC IRAK4 degrader-7
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(difluoromethyl)-1-[trans-4-[[4-[[3-[1-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-4-yl]-2-propyn-1-yl]oxy]-1-piperidinyl]methyl]cyclohexyl]-1H-pyrazol-4-yl]-5-(1R,4R)-2-oxa-5-azabicyclo[2.2.1]hept-5-yl- | [Molecular Formula]
C44H49F2N11O6 | [MOL File]
2432994-31-3.mol | [Molecular Weight]
865.93 |
| Chemical Properties | Back Directory | [density ]
1.57±0.1 g/cm3(Predicted) | [solubility ]
Acetonitrile: Slightly soluble: 0.1-1 mg/ml
DMSO: Sparingly soluble: 1-10 mg/ml | [form ]
Solid | [pka]
8.20±0.46(Predicted) | [color ]
White to off-white | [InChIKey]
NQGKNAVUMAHSQN-KDRPOVOJSA-N | [SMILES]
C12=C(C(NC3=CN([C@@H]4CC[C@@H](CN5CCC(OCC#CC6=C7C(=CC=C6)N(C6CCC(=O)NC6=O)C(=O)N7C)CC5)CC4)N=C3C(F)F)=O)C=NN1C=CC(N1C[C@@]3([H])C[C@]1([H])CO3)=N2 |
| Hazard Information | Back Directory | [Uses]
KT-474 (KYM-001) is an orally active PROTAC IRAK4 degrader with antitumor activities[1]. KT-474 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. | [in vivo]
KT-474 (p.o.) induces tumor regression in xenograft models of MYD88-mutant ABC DLBCL[3].
| [IC 50]
IRAK4 | [References]
[1] Nello Mainolfi, et al. Irak degraders and uses thereof. Patent WO2020113233A1.
[2] Ackerman L, et al. IRAK4 degrader in hidradenitis suppurativa and atopic dermatitis: a phase 1 trial. Nat Med. 2023 Dec;29(12):3127-3136. DOI:10.1038/s41591-023-02635-7
[3] Joseph F. Kelleher, et al. Abstract LB-272: KYM-001, a first-in-class oral IRAK4 protein degrader, induces tumor regression in xenograft models of MYD88-mutant ABC DLBCL alone and in combination with BTK inhibition. Cancer Res (2019) 79 (13_Supplement): LB-272. |
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