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(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone

Product Name
(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CAS No.
1883423-59-3
Chemical Name
(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
Synonyms
CPD1540;MSC2530818;MSC2530818, 10 mM in DMSO;Cyclin dependent kinase,Inhibitor,CDK,MSC2530818,inhibit,MSC 2530818,MSC-2530818;(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone;[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;Methanone, [(2S)-2-(4-chlorophenyl)-1-pyrrolidinyl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-
CBNumber
CB53175818
Molecular Formula
C18H17ClN4O
Formula Weight
340.81
MOL File
1883423-59-3.mol
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(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone Property

Boiling point:
576.5±50.0 °C(Predicted)
Density 
1.373±0.06 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMF: 30 mg/ml; DMF:PBS (pH 7.2) (1:1): 0.50 mg/ml; DMSO: 15 mg/ml; Ethanol: 10 mg/ml
form 
A crystalline solid
pka
9.65±0.40(Predicted)
color 
White to off-white
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
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N-Bromosuccinimide Price

Cayman Chemical
Product number
29669
Product name
MSC2530818
Packaging
1mg
Price
$73
Updated
2024/03/01
Cayman Chemical
Product number
29669
Product name
MSC2530818
Packaging
25mg
Price
$717
Updated
2024/03/01
Cayman Chemical
Product number
29669
Product name
MSC2530818
Packaging
5mg
Price
$217
Updated
2024/03/01
Cayman Chemical
Product number
29669
Product name
MSC2530818
Packaging
10mg
Price
$359
Updated
2024/03/01
American Custom Chemicals Corporation
Product number
INB0005703
Product name
METHANONE, [(2S)-2-(4-CHLOROPHENYL)-1-PYRROLIDINYL](3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-
Purity
95.00%
Packaging
5MG
Price
$459.97
Updated
2021/12/16
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(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone Chemical Properties,Usage,Production

Description

MSC2530818 is an orally bioavailable cyclin-dependent kinase 8 (Cdk8) inhibitor (IC50 = 2.6 nM). It is selective for Cdk8 over a panel of 264 kinases at 1 μM but does inhibit glycogen synthase kinase 3α (GSK3α; IC50 = 691 nM). MSC2530818 inhibits STAT1 phosphorylation in SW620 colorectal cancer cells with an IC50 value of 8 nM. It also inhibits Wnt-dependent transcription in LS 174T, COLO 205, and PA-1 cancer cells (IC50s = 32, 9, and 52 nM, respectively, in luciferase reporter assays). MSC2530818 (50 and 100 mg/kg) reduces tumor growth in a SW620 mouse xenograft model.

Uses

MSC2530818 is a potent, selective and orally available CDK8 inhibitor with an IC50 of 2.6 nM for CDK8.

in vivo

Tumor-bearing mice treated with MSC2530818 shows reduction in tumor growth with T/C ratios (based on final tumor weights) of 49% and 57%, respectively. MSC2530818 is generally well tolerated, with no effects on mouse body weight in the qd administration schedule and manageable body weight loss. The human clearance and volume of distribution at steady-state are estimated to be low (0.14 L/h/kg) and small (0.48 L/kg), respectively, resulting in a short predicted terminal half-life (2.4 h). Physiologically based pharmacokinetics simulations suggested that human oral bioavailability may be ≥75% up to dose level of 500 mg daily[1].

IC 50

CDK8: 2.6 nM (IC50)

References

[1] Czodrowski P, et al. Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J Med Chem. 2016 Oct 27;59(20):9337-9349. DOI:10.1021/acs.jmedchem.6b00597

(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone Preparation Products And Raw materials

Raw materials

Preparation Products

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(S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone Suppliers

China 81 United States 5 USA 1 Global 87
ShangHai Caerulum Pharma Discovery Co., Ltd.
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18149758185 18149758185
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sales-cpd@caerulumpharma.com
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China
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Shanghai Boyle Chemical Co., Ltd.
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86-21-57758967
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sales@boylechem.com
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China
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Shanghai Jian Chao Chemical Technology Co., Ltd.
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0-1502103-5486 18017383231
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qq：2817624287
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983544897@qq.com
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China
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DKMbiochem.Co. Ltd
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15901859516
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15901859516
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sales@DKMbiochem.com
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China
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Shanghai Lollane Biological Technology Co.,Ltd.
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021-52996696，15000506266 15000506266
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+86-21-52996696
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ATK CHEMICAL COMPANY LIMITED
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021-51619050 13301662590
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+86-21-51619052
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mandy@atkchemical.com
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Shanghai EFE Biological Technology Co., Ltd.
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021-65675885 18964387627
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021-65675885
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info@efebio.com
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Shanghai YuanYe Biotechnology Co., Ltd.
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021-61312847; 18021002903
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QQ:3008007432
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3008007409@qq.com
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China
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71829
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ShangHai Biochempartner Co.,Ltd
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17754423994 17754423994
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QQ:2853530913
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2853530910@QQ.com
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China
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Shanghai Rechem science Co., Ltd.
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21-31433387 15618786686
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QQ:1369748377
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sales@rechemscience.com
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1883423-59-3, (S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanoneRelated Search:

(R)-2-(4-CHLOROPHENYL)PYRROLIDINE Benzofuro[3,2-d]pyriMidin-4(3H)-one, 8-chloro-2-(2S)-2-pyrrolidinyl- (2S)-2-(4-CHLOROPHENYL)PYRROLIDINE HCL (2R)-2-(4-CHLOROPHENYL)PYRROLIDINE HCL (S)-2-(4-CHLOROPHENYL)PYRROLIDINE

  • (S)-(2-(4-chlorophenyl)pyrrolidin-1-yl)(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
  • MSC2530818
  • CPD1540
  • [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
  • Methanone, [(2S)-2-(4-chlorophenyl)-1-pyrrolidinyl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-
  • Cyclin dependent kinase,Inhibitor,CDK,MSC2530818,inhibit,MSC 2530818,MSC-2530818
  • MSC2530818, 10 mM in DMSO
  • 1883423-59-3
  • API