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37839-81-9 分子结构
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sodium (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate

ChemBase编号:102912
分子式:C10H11N5NaO6P
平均质量:351.187771
单一同位素质量:351.03446401
SMILES和InChIs

SMILES:
c1nc(c2c(n1)n(cn2)[C@H]1[C@@H]([C@H]2[C@H](O1)COP(=O)(O2)[O-])O)N.[Na+]
Canonical SMILES:
O[C@@H]1[C@@H]2OP(=O)([O-])OC[C@H]2O[C@H]1n1cnc2c1ncnc2N.[Na+]
InChI:
InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey:
BXJBFCKTIWRKMQ-MCDZGGTQSA-M

引用这个纪录

CBID:102912 http://www.chembase.cn/molecule-102912.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
sodium (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2λ5-furo[3,2-d][1,3,2λ5]dioxaphosphinin-2-olate
IUPAC传统名
sodium 3',5'-cyclic amp anion
别名
环化腺苷酸 钠盐
腺苷-3′,5′-环单磷酸 钠盐 一水合物
cAMP-Na
Adenosine 3′,5′-cyclic monophosphate sodium salt monohydrate
Adenosine-3',5'-Monophosphoric Acid
ADENOSINE-3',5'-cyclic-MONOPHOSPHATE SODIUM SALT
Adenosine Cyclic 3',5'-(Hydrogen Phosphate) Monosodium Salt
3',5'-AMP Sodium Salt
Adenosine 3',5'-Phosphoric Acid Sodium Salt
Cyclic 3',5'-AMP Sodium Salt
Cyclic 3',5'-Adenosine Monophosphate Monosodium Salt
Cyclic AMP Sodium
Cyclic AMP Sodium Salt
cAMP Sodium Salt
Adenosine-3',5'-cyclic Monophosphate Sodium Salt
3′,5′-Cyclic AMP sodium salt
CAS号
37839-81-9
MDL号
MFCD00069736
Beilstein号
54612
PubChem SID
162088780
24891151
PubChem CID
23669773

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 23669773 external link

理论计算性质

理论计算性质

JChem
Acid pKa 1.8324043  质子受体
质子供体 LogD (pH = 5.5) -3.768807 
LogD (pH = 7.4) -3.6955175  Log P -4.0200067 
摩尔折射率 69.1678 cm3 极化性 27.794725 Å3
极化表面积 157.67 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
H2O: soluble50 mg/mL expand 查看数据来源
H2O: soluble50 mg/mL, clear, colorless expand 查看数据来源
外观
white powder expand 查看数据来源
保存条件
0°C expand 查看数据来源
RTECS编号
AU7357900 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
纯度
~98% expand 查看数据来源
≥98.0% (HPLC) expand 查看数据来源
≥99.0% (HPLC) expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
运输包装
wet ice expand 查看数据来源
Empirical Formula (Hill Notation)
C10H11N5NaO6P · H2O expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals -  02105460 external link
Sodium Salt
Crystalline
Purity: Approx. 98%
Sigma Aldrich -  A6885 external link
Application
Adenosine-3′,5′-cyclic monophosphate (cAMP) is an activator of cyclic-AMP-dependent protein kinase A (PKA). The cAMP/PKA signaling pathway has been shown to inhibit cell proliferation, induce differentiation and lead to apoptosis. Exogneous cAMP plays a role in the spontaneous activity and contraction of the heart muscle.
Biochem/physiol Actions
Naturally-occurring activator of cyclic-AMP-dependent protein kinase (PKA). cAMP is an important second messenger that is linked in many systems to neurotransmitter- or hormone-induced receptor stimulation. The cAMP/PKA signaling pathway has been shown to inhibit cell proliferation, induce differentiation and lead to apoptosis.
Sigma Aldrich -  01894 external link
Biochem/physiol Actions
Naturally-occurring activator of cyclic-AMP-dependent protein kinase (PKA). cAMP is an important second messenger that is linked in many systems to neurotransmitter- or hormone-induced receptor stimulation. The cAMP/PKA signaling pathway has been shown to inhibit cell proliferation, induce differentiation and lead to apoptosis.
Toronto Research Chemicals -  A280455 external link
Adenosine-3’,5’-cyclic Monophosphate is an Adenosine (A280400) derivative useful as anticancer agent.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Keast, R., et al.: Pharma. Res., 19, 1019 (2002)
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专利

专利

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互联网资源

互联网资源

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