ChemicalBook--->CAS DataBase List--->212844-53-6

212844-53-6

212844-53-6 Structure

212844-53-6 Structure
IdentificationBack Directory
[Name]

PURVALANOL A
[CAS]

212844-53-6
[Synonyms]

NG-60
PurvaL
CH61386
CS-1631
CDKinhibitor
PURVALANOL A
(R)-Purvalanol A
NG 60;NG60;NG-60
PURVALANOLA, >98%
PurvalanolA/CH61386
Purvalanol A(NG 60)
PURVALANOL A USP/EP/BP
PurvalanolA,CDKinhibitor
Purvalanol A - CAS 212844-53-6 - Calbiochem
6-(3-CHLOROANILINO)-2(1R)-ISOPROPYL-2-HYDROXYETHYLAMINO-9-ISOPROPYLPURINE
2-(1R-ISOPROPOYL-2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
2-(1R-ISOPROPYL-2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYL-PURINE
(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
(R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-purin-2-ylamino)-3-methylbutan-1-ol
NG-60, 2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
(2R)-2-[[6-[(3-CHLOROPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL
1-Butanol, 2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)-
2R)-2-[[6-[(3-Chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanolCDKinhibitor.
[Molecular Formula]

C19H25ClN6O
[MDL Number]

MFCD02179211
[MOL File]

212844-53-6.mol
[Molecular Weight]

388.89
Chemical PropertiesBack Directory
[Boiling point ]

590.5±60.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

methylene chloride: 50 mg/mL, clear, colorless
[form ]

powder
[pka]

14.51±0.10(Predicted)
[color ]

off-white
[Stability:]

Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
[InChI]

1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
[InChIKey]

PMXCMJLOPOFPBT-HNNXBMFYSA-N
[SMILES]

Clc1cc(ccc1)Nc2nc(nc3[n](cnc32)C(C)C)N[C@@H](CO)C(C)C
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Purvalanol A (212844-53-6) is a cyclin-dependent kinase inhibitor. IC50s= 4, 70, 35, 75 and 850 nM for cdc2/cyclin B, cdk2/cyclin A, cdk2/cyclin E, cdk5/p35 and cdk4/cyclin D1 and respectively.1?Reversibly arrests synchronized cells in G1 and G2 phase.2?Induces ER stress-mediated apoptosis and autophagy in colon cancer cells.3?Suppresses Src-mediated transformation by inhibiting both CDKs and c-Src.4?In cells transformed with MYC, purvalanol A rapidly down-regulates survivin expression and induces MYC-dependent apoptosis.5?Cell permeable.
[Uses]

Inhibitor of human CDK1 (IC50=4nM), CDK2/cyclin A (IC50=70nM), Cdc2/cyclin B, CDK2/cyclin E (IC50=35nM), CDK4/cyclin D1 (IC50=850nM) as well as CDK5/p35 (IC50=75nM). More membrane permeable than purvalanol B.
[Definition]

ChEBI: Purvalanol A is a purvalanol.
[Biological Activity]

Cyclin-dependent kinase inhibitor. IC 50 values are 4, 70, 35, 850 and 75 nM for cdc2/cyclin B, cdk2/cyclin A, cdk2/cyclin E, cdk4/cyclin D1 and cdk5-p35 respectively. Reversibly arrests synchronised cells in G1 and G2, and inhibits cell proliferation and cell death.
[storage]

Store at +4°C
[References]

1) Gray?et al.?(1998),?Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors; Science,?281?533 2) Villerbu?et al.?(2002),?Cellular effects of purvalanol A: a specific inhibitor of cyclin-dependent kinase activities; Int. J. Cancer,?97?761 3) Coker-Gurkan?et al.?(2015),?Purvalanol induces endoplasmic reticulum stress-mediated apoptosis and autophagy in a time dependent manner in HCT116 colon cancer cells; Oncol. Rep.,?33?2761 4) Hikita?et al.?(2010),?Purvalanol A, a CDK inhibitor, effectively suppresses Src-mediated transformation by inhibiting both CDKs and c-Src; Genes Cells,?15?1051 5) Goga?et al.?(2007),?Inhibition of CDK1 as a potential therapy for tumors over-expressing MYC; Nat. Med.,?13?820
Spectrum DetailBack Directory
[Spectrum Detail]

PURVALANOL A(212844-53-6)1HNMR
212844-53-6 suppliers list
Company Name: Shanghai Boyle Chemical Co., Ltd.  
Telephone:
Website: www.boylechem.com
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Haoyuan Chemexpress Co., Ltd.  
Telephone: 021-58950125
Website: http://www.chemexpress.com.cn
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: AdooQ Bioscience CHINA  
Telephone: 025-58849295
Website: http://www.adooq.cn
Company Name: Shanghai JiYi Biotechnology Co. Ltd.  
Telephone: 13621943973
Website: www.chemicalbook.com/ShowSupplierProductsList16460/0_EN.htm
Company Name: Shanghai Lollane Biological Technology Co.,Ltd.  
Telephone: 021-52996696,15000506266 15000506266
Website: http://www.bioll.com
Company Name: Shanghaizehan biopharma technology co., Ltd.  
Telephone: 021-61350663 13052117465
Website: http://www.zehanbiopharma.com
Company Name: D&C Chemicals  
Telephone: +86-21-58447131
Website: www.chemicalbook.com/ShowSupplierProductsList16963/0_EN.htm
Company Name: ShangHai Siyan Biological Technology Co., Ltd.  
Telephone: 021-50908862,442785678,326799392 18721037013
Website: http://www.siyanbio-tec.com
Company Name: Shanghai EFE Biological Technology Co., Ltd.  
Telephone: 021-65675885 18964387627
Website: http://www.efebio.com
Company Name: Guangzhou QiYun Biotechnology Co., Ltd.  
Telephone: 020-61288194 61288195
Website: www.gzqiyun.com
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 15026964105
Website: www.shyuanye.com
Company Name: Shanghai QianYan Bio-technology Co., Ltd  
Telephone: 02781293128
Website: www.chemicalbook.com/ShowSupplierProductsList19348/0_EN.htm
Company Name: Shanghai Changyan Chem & Tech Co., Ltd.  
Telephone: 021-20242659 18930833303
Website: http://www.changyanchem.cn
Company Name: Tianjin Kailiqi Biotechnology Co., Ltd.  
Telephone: 15076683720
Website: http://www.cw-bio.com
Company Name: Shanghai Chaolan Chemical Technology Center  
Telephone: QQ:65489617 13301690235
Website: www.atkchemical.com/
Company Name: Shanghai SuperLan Chemcial Technique Centre  
Telephone: 0-2022843681 15618226720
Website: www.chemicalbook.com/showsupplierproductslist19886/0_en.htm
Tags:212844-53-6 Related Product Information
500735-47-7 377090-84-1 444722-95-6 101622-51-9 186692-46-6 545380-34-5 158982-15-1 199986-75-9 872573-93-8 186692-45-5 444723-13-1 129821-08-5 118458-54-1 452-06-2