CAS 1209002-42-5

2-Chloro-N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]-4-[[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzamide

Description:

The chemical substance known as "2-Chloro-N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]-4-[[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzamide" with CAS number 1209002-42-5 is a complex organic compound characterized by its multi-functional groups, including a chloro group, sulfonamide, and various amine functionalities. This compound features a naphthalene moiety, which contributes to its aromatic properties, and a purine derivative that may influence its biological activity. The presence of dimethylamino and hydroxymethyl groups suggests potential interactions with biological systems, possibly indicating pharmacological relevance. The intricate structure implies that it may exhibit specific binding affinities or inhibitory effects in biochemical pathways. Additionally, the sulfonamide group is known for its role in medicinal chemistry, often associated with antibacterial and antitumor activities. Overall, this compound's unique structural features suggest it may be of interest in drug development or as a research tool in biochemistry.

Formula: C₃₃H₄₀ClN₉O₄S

InChI: InChI=1S/C33H40ClN9O4S/c1-6-21(18-44)39-33-40-30(29-31(41-33)43(19-36-29)20(2)3)38-22-13-14-25(26(34)17-22)32(45)35-15-16-37-48(46,47)28-12-8-9-23-24(28)10-7-11-27(23)42(4)5/h7-14,17,19-21,37,44H,6,15-16,18H2,1-5H3,(H,35,45)(H2,38,39,40,41)/t21-/m1/s1

InChI key: InChIKey=JABARHGOSMRFSR-OAQYLSRUSA-N

SMILES: N(C1=C2C(N(C(C)C)C=N2)=NC(N[C@H](CC)CO)=N1)C3=CC(Cl)=C(C(NCCNS(=O)(=O)C=4C5=C(C(N(C)C)=CC=C5)C=CC4)=O)C=C3

Synonyms:

• VMY 1-101
• Benzamide, 2-chloro-N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]-4-[[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]-
• 2-Chloro-N-[2-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]ethyl]-4-[[2-[[(1R)-1-(hydroxymethyl)propyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]benzamide

VMY-1-101

CAS: 1209002-42-5

VMY-1-101: synthetic fluorescent CDK inhibitor with strong activity, increases G2/M arrest, and induces more apoptosis than purvalanol B.

Formula: C₃₃H₄₀ClN₉O₄S

Color and Shape: Solid

Molecular weight: 694.25

Ref: TM-T71231