CAS 1722-12-9|CAS 3102-57-6|2-chloropyrimidine|pyrimidine, 2-chloro-|2-Chloropyrimidine|Acetyl ceramide|C<sub>2</sub> Ceramide|N-Ethanoyl-D-sphingosine|N-ACETYL-D-SPHINGOSINE|2-氯嘧啶|2-Chloropyrimi...

基本信息

化学结构

分子式

C₄H₃ClN₂

分子量

114.53302

精确质量

113.99847579

电荷

InChI

InChI=1S/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3H

InChIKey

UNCQVRBWJWWJBF-UHFFFAOYSA-N

Canonic Smiles

Clc1ncccn1

Isomeric Smiles

n1c(nccc1)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

0.9582857

LogD (pH = 7.4)

0.9582858

Log P

0.9582858

摩尔折射率

28.2209

极化性

10.574802

极化表面积

25.78

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2-chloropyrimidine

IUPAC传统名

pyrimidine, 2-chloro-

别名

2-ChloropyrimidineAcetyl ceramideC₂ CeramideN-Ethanoyl-D-sphingosineN-ACETYL-D-SPHINGOSINE2-氯嘧啶2-Chloropyrimidine2-Chloro-1,3-diazine

名称和标识

数据登录号

CAS号

MDL号

EC号

Beilstein号

PubChem SID

PubChem CID

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02150656

Crystalline
Purity: ~98-99%
The crystals of this product vary in color from yellow to greenish, but the quality remains consistent, in the 98 to 99% range.

02158923

Purity: 98%
Inhibitor of cell proliferation and inducer of monocytic differentiation of HL-60 cells. Stimulates cytosolic serine/threonine protein phosphatase in T9 cells at low concentrations.

Sigma Aldrich

193291

Other Notes
残留物为 2-羟基嘧啶
包装
10, 50 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Okazaki, T., et al., ibid. , 265 : 15823, (1990).

• Kim, M.-Y., et al., J. Biol. Chem. , 266 : 484, (1991).

• Dobrowsky, R.T. and Hannun, Y.A., et al., J. Biol. Chem. , 267 : 5048, (1992).

• Alkoxylation with 3-butyn-1-ol, followed by intramolecular Diels-Alder reaction, leads to a fused pyridine system, by a sequence analogous to that shown for 2-Chloropyrazine, A10108: Tetrahedron, 45, 803 (1989). For a similar sequence using the anion of an alkynylmalononitrile, see: Tetrahedron, 45, 5151 (1989). For synthesis of a benzofuropyridine by the cyclization of a 2-(alkynylphenoxy)pyrimidine, see: Tetrahedron, 45, 6511 (1989).

• Organolithium reagents add to the 1,6-imine bond, giving, after aromatization with DDQ, 6-substituted 2-chloropyrimidines: J. Org. Chem., 53, 4137 (1988).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

2-chloropyrimidine

IUPAC传统名

pyrimidine, 2-chloro-

别名

2-ChloropyrimidineAcetyl ceramideC₂ CeramideN-Ethanoyl-D-sphingosineN-ACETYL-D-SPHINGOSINE2-氯嘧啶2-Chloropyrimidine2-Chloro-1,3-diazine

数据登录号

CAS号

MDL号

EC号

Beilstein号

PubChem SID

PubChem CID

描述信息

Crystalline
Purity: ~98-99%
The crystals of this product vary in color from yellow to greenish, but the quality remains consistent, in the 98 to 99% range.

02158923

Purity: 98%
Inhibitor of cell proliferation and inducer of monocytic differentiation of HL-60 cells. Stimulates cytosolic serine/threonine protein phosphatase in T9 cells at low concentrations.

Sigma Aldrich

193291

Other Notes
残留物为 2-羟基嘧啶
包装
10, 50 g in glass bottle

参考文献

PubChem文献

数据源提供

• Okazaki, T., et al., ibid. , 265 : 15823, (1990).

• Kim, M.-Y., et al., J. Biol. Chem. , 266 : 484, (1991).

• Dobrowsky, R.T. and Hannun, Y.A., et al., J. Biol. Chem. , 267 : 5048, (1992).

• Organolithium reagents add to the 1,6-imine bond, giving, after aromatization with DDQ, 6-substituted 2-chloropyrimidines: J. Org. Chem., 53, 4137 (1988).

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:74385