CAS 212844-54-7

2-chloro-4-{[2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}benzoic acid

Description:

2-Chloro-4-{[2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}benzoic acid is a complex organic compound characterized by its multi-functional structure, which includes a benzoic acid moiety, a purine derivative, and an amino alcohol. The presence of a chlorine atom at the 2-position of the benzoic acid ring contributes to its reactivity and potential biological activity. The compound features a chiral center, indicated by the (2R) configuration, which may influence its pharmacological properties and interactions with biological targets. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it a subject of interest for further research in drug design and synthesis. Overall, this substance exemplifies the complexity often found in bioactive molecules, combining elements that may enhance its therapeutic potential.

Formula: C₂₀H₂₅ClN₆O₃

InChI: InChI=1/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1

InChI key: InChIKey=ZKDXRFMOHZVXSG-HNNXBMFYSA-N

SMILES: N(C1=C2C(N(C(C)C)C=N2)=NC(N[C@H](C(C)C)CO)=N1)C3=CC(Cl)=C(C(O)=O)C=C3

Synonyms:

• 2-Chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid
• 2-Chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzoic acid
• Benzoic acid, 2-chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]-
• Ng 95
• Purvalanol B
• Purvalanol B(NG 95)
• Purvalanol B, >=96%
• (R)-2-CHLORO-4-(2-(1-HYDROXY-3-METHYLBUTAN-2-YLAMINO)-9-ISOPROPYL-9H-PURIN-6-YLAMINO)BENZOIC ACID
• (R)-2-Chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzo
• NG 95; NG95; NG-95
• (2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL
• CS-2003
• (2R)-2-((6-((3-Chloro-4-carboxyphenyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)amino)-3-methyl-1-butanol

2-Chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzoic acid

CAS: 212844-54-7

Formula: C₂₀H₂₅ClN₆O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 432.9039

Ref: IN-DA0039RZ

Purvalanol B

CAS: 212844-54-7

Purvalanol B

Purity: ≥98%

Molecular weight: 432.9g/mol

Ref: 54-BUP07580

Purvalanol B

CAS: 212844-54-7

Formula: C₂₀H₂₅ClN₆O₃

Purity: ≥ 98.0%

Color and Shape: White solid

Molecular weight: 432.90

Ref: 7W-GK1731

Purvalanol B

CAS: 212844-54-7

Purvalanol B (NG 95) is a CDK inhibitor that inhibits Cdk2/cyclin A, Cdk2/cyclin E, Cdk5/p35, and Cdk2/cyclin B (IC50s = 6, 9, 6, and 6 nM, respectively)

Formula: C₂₀H₂₅ClN₆O₃

Purity: 98.95%

Color and Shape: Solid

Molecular weight: 432.9

Ref: TM-T7167

2-Chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzoic acid

CAS: 212844-54-7

Purity: 98%

Molecular weight: 432.9100037

Ref: 10-F862508

Purvalanol B

CAS: 212844-54-7

Purvalanol B is a selective cyclin-dependent kinase (CDK) inhibitor, which is synthetically derived through chemical synthesis. With high specificity, it inhibits CDK activity by competitively binding to the ATP-binding site of these kinases, thereby blocking substrate phosphorylation and subsequent cell cycle progression. Purvalanol B's mechanism of action allows it to interfere with CDK-dependent processes, making it a valuable tool in elucidating cell cycle dynamics and the molecular underpinnings of cancer proliferation.

Formula: C₂₀H₂₅ClN₆O₃

Purity: Min. 95%

Molecular weight: 432.9 g/mol

Ref: 3D-MIA84454