Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-
- Product Name
- Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-
- CAS No.
- 1169558-38-6
- Chemical Name
- Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-
- Synonyms
- BMS863233;XL413;XL 413;CS-858;BMS-863233 base;BMS863233(salt);inhibit,XL 413,CDK,XL413,Inhibitor,Cyclin dependent kinase,XL-413;8-Chloro-2-(2S)-2-pyrrolidinylbenzofuro[3,2-d]pyrimidin-4(3H)-one;(S)-8-chloro-2-(pyrrolidin-2-yl)benzofuro[3,2-d]pyrimidin-4(3H)-one;Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl-
- CBNumber
- CB62627546
- Molecular Formula
- C14H12ClN3O2
- Formula Weight
- 289.72
- MOL File
- 1169558-38-6.mol
Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- Property
- Density
- 1.69±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- solubility
- Soluble in DMSO
- form
- Powder
- pka
- 8.38±0.20(Predicted)
- color
- Off-white to light yellow
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- A100823
- Product name
- 8-Chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
- Packaging
- 1mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- B1232
- Product name
- 8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
- Packaging
- 5mg
- Price
- $105
- Updated
- 2021/12/16
- Product number
- B1232
- Product name
- 8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
- Packaging
- 10mg
- Price
- $165
- Updated
- 2021/12/16
- Product number
- B1232
- Product name
- 8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
- Packaging
- 50mg
- Price
- $470
- Updated
- 2021/12/16
- Product number
- B1232
- Product name
- 8-chloro-2-[(2S)-pyrrolidin-2-yl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one
- Packaging
- 100mg
- Price
- $680
- Updated
- 2021/12/16
Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- Chemical Properties,Usage,Production
Uses
XL413 is a potent, selective and ATP competitive inhibitor of Cdc7, with an IC50 of 3.4 nM, and also shows potent effect with IC50s of 215, 42 nM on CK2, PIM1, respectively, and an EC50 of 118 nM on pMCM.
Definition
ChEBI: XL413 is a benzofuropyrimidine that is 3,4-dihydro[1]benzofuro[3,2-d]pyrimidine substituted by (2S)-pyrrolidin-2-yl, oxo and chloro groups at positions 2, 4, and 8, respectively. It is a potent ATP competitive inhibitor of Cdc7 kinase (IC50 = 3.4 nM) and exhibits anticancer properties. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an antineoplastic agent. It is a benzofuropyrimidine, an organochlorine compound and a member of pyrrolidines.
in vivo
XL413 (100 mg/kg, p.o.) shows excellent plasma exposures in mice and possesses good PK properties. XL413 (10, 30, or 100 mg/kg, p.o.) is well tolerated at all the doses, with no significant body weight loss[1].
IC 50
Cdc7: 3.4 nM (IC50); PIM1: 42 nM (IC50); CK2: 215 nM (IC50)
References
[1] Koltun ES, et al. Discovery of XL413, a potent and selective CDC7 inhibitor. Bioorg Med Chem Lett. 2012 Jun 1;22(11):3727-31. DOI:10.1016/j.bmcl.2012.04.024
[2] Sasi NK, et al. The potent Cdc7-Dbf4 (DDK) kinase inhibitor XL413 has limited activity in many cancer cell lines and discovery of potential new DDK inhibitor scaffolds. PLoS One. 2014 Nov 20;9(11):e113300. DOI:10.1371/journal.pone.0113300
Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- Preparation Products And Raw materials
Raw materials
Preparation Products
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