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
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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P501Dispose of contents/container to..…
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
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
- Tel
- 18055651951
- 2272561977@qq.com
- Country
- China
- ProdList
- 436
- Advantage
- 58
- Tel
- 028-86040038 13980902949;
- Fax
- 028-85149890
- market@dingdangchem.com
- Country
- China
- ProdList
- 1854
- Advantage
- 55
- Tel
- 18136139868; 18136139868
- jinlun@goodchemtech.cn
- Country
- China
- ProdList
- 308
- Advantage
- 58
- Tel
- 17702719238 18971495150;
- sales@sun-shinechem.com
- Country
- China
- ProdList
- 1136
- Advantage
- 64
- Tel
- 025-83697070 13770331960
- Fax
- +86-25-83453306
- info@chemlin.com.cn
- Country
- China
- ProdList
- 16027
- Advantage
- 64
- Tel
- 18149758185 18149758185
- sales-cpd@caerulumpharma.com
- Country
- China
- ProdList
- 3505
- Advantage
- 58
- Tel
- 400-400-164-7117 18317119277
- Fax
- +86-21-61629029
- product02@bidepharm.com
- Country
- China
- ProdList
- 40000
- Advantage
- 60
- Tel
- +86 13524779951; 13524779951
- Fax
- QQ: 2075692521
- 2075692521@qq.com
- Country
- China
- ProdList
- 294
- Advantage
- 55
- Tel
- 021-52996696，15000506266 15000506266
- Fax
- +86-21-52996696
- Country
- China
- ProdList
- 4817
- Advantage
- 55
- Tel
- 021-61312847; 18021002903
- Fax
- QQ:3008007432
- 3008007409@qq.com
- Country
- China
- ProdList
- 86249
- Advantage
- 60