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547328

9-甲基腺嘌呤

Name: 9-甲基腺嘌呤
Brand: ALDRICH

97%

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经验公式（希尔记法）:

C₆H₇N₅

CAS号:

700-00-5

分子量:

149.15

MDL编号:

MFCD00047232

PubChem化学物质编号:

24878931

NACRES:

NA.22

检测方案

97%

mp

300-305 °C (lit.)

SMILES string

Cn1cnc2c(N)ncnc12

InChI

1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)

InChI key

WRXCXOUDSPTXNX-UHFFFAOYSA-N

Gene Information

rat ... Adora1(29290) , Adora2a(25369)

一般描述

9-Methyladenine is a derivative of adenine. It belongs to the monoclinic crystal system and P2₁/c space group.

应用

9-Methyladenine may be used in the preparation of N6-benzoyl-9-methyladenine.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)

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An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

Mahmoud Mirzaei et al.

The journal of physical chemistry. A, 110(14), 4833-4838 (2006-04-08)

Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory. The calculations were carried out at the B3LYP

Gas-phase Watson-Crick and Hoogsteen isomers of the nucleobase mimic 9-methyladenine x 2-pyridone.

Jann A Frey et al.

Chemphyschem : a European journal of chemical physics and physical chemistry, 7(7), 1494-1499 (2006-06-07)

2-Pyridone (pyridin-2-one) is a mimic of the uracil and thymine nucleobases, with only one N--H and C==O group. It provides a single H-bonding site, compared to three for the canonical pyrimidine nucleobases. Employing the supersonically cooled 9-methyladenine2-pyridone (9MAd x 2PY)

Discovery and structure-activity relationship studies of N6-benzoyladenine derivatives as novel BRD4 inhibitors.

Tomomi Noguchi-Yachide et al.

Bioorganic & medicinal chemistry, 23(5), 953-959 (2015-02-14)

Bromodomain and extra-terminal domain (BET) proteins are epigenetic readers that bind to acetylated lysines in histones. Among them, BRD4 is a candidate target molecule of therapeutic agents for diverse diseases, including cancer and inflammatory disease. As a part of our

Irreversible insertion of benzonitrile into platinum(II)-nitrogen bonds of nucleobase complexes. Synthesis and structural characterization of stable azametallacycle compounds.

Diego Montagner et al.

Inorganic chemistry, 49(5), 2103-2110 (2010-02-09)

Deprotonation of 1-methylcytosine (1-MeCy) and 9-methyladenine (9-MeAd) promoted by cis-[L(2)Pt(mu-OH)](2)(NO(3))(2) (L = PPh(3), PMePh(2), (1)/(2)dppe) in PhCN causes the irreversible insertion of a nitrile molecule into the Pt-N4 and Pt-N6 bonds of the cytosinate and adeninate ligands, respectively, to form

Exploring the metal coordination properties of the pyrimidine part of purine nucleobases: isomerization reactions in heteronuclear Pt(II)/Pd(II) of 9-methyladenine.

Susana Ibáñez et al.

Inorganic chemistry, 50(20), 10439-10447 (2011-09-24)

The synthesis and characterization of three heteronuclear Pt(2)Pd(2) (4, 5) and PtPd(2) (6) complexes of the model nucleobase 9-methyladenine (9-MeA) is reported. The compounds were prepared by reacting [Pt(NH(3))(3)(9-MeA-N7)](ClO(4))(2) (1) with [Pd(en)(H(2)O)(2)](ClO(4))(2) at different ratios r between Pt and Pd

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