ChemicalBook > CAS DataBase List > 1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-
1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-
- Product Name
- 1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-
- CAS No.
- 2446480-97-1
- Chemical Name
- 1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-
- Synonyms
- KSQ-4279;RG-6614;Ksq-2479;USP1-IN-1;RO7623066;KSQ-4279?(Synonyms: USP1-IN-1);6-(4-Cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[4-[1-isopropyl-4-(trifluoromethyl)-2-imidazolyl]benzyl]-1H-pyrazolo[3,4-d]pyrimidine; 6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine;6-(4-cyclopropyl-6-methoxy-pyrimidin-5-yl)-1-[[4-[1-isopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine;6-(4-Cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidine
- CBNumber
- CB98388015
- Molecular Formula
- C27H25F3N8O
- Formula Weight
- 534.54
- MOL File
- 2446480-97-1.mol
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1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]- Property
- Density
- 1.47±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- DMSO : 80 mg/mL (149.66 mM; Need ultrasonic)
- pka
- 2.85±0.60(Predicted)
- form
- Solid
- color
- White to light yellow
- InChIKey
- KCBWAFJCKVKYHO-UHFFFAOYSA-N
- SMILES
- C1(C2=C(OC)N=CN=C2C2CC2)=NC=C2C=NN(CC3=CC=C(C4N(C(C)C)C=C(C(F)(F)F)N=4)C=C3)C2=N1
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1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]- Chemical Properties,Usage,Production
Uses
KSQ-4279 (USP1-IN-1) is a potent USP1 inhibitor and a selective PARP1 inhibitor. KSQ-4279 is promising for research of cancers[1].
in vivo
KSQ-4279 shows dose-dependent, robust and durable anti-tumor regression in multiple TNBC and ovarian cancer Patient-derived xenografts (PDXs) with varied genomic status including BRCA1-mutated and -wildtype models[1].
IC 50
USP1; PARP1
References
[1] Natalie Y L Ngoi, et al. Targeting the DNA damage response beyond poly(ADP-ribose) polymerase inhibitors: novel agents and rational combinations. Curr Opin Oncol. 2022 Sep 1;34(5):559-569. DOI:10.1097/CCO.0000000000000867
1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]- Preparation Products And Raw materials
Raw materials
Preparation Products
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1H-Pyrazolo[3,4-d]pyrimidine, 6-(4-cyclopropyl-6-methoxy-5-pyrimidinyl)-1-[[4-[1-(1-methylethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]- Suppliers
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