计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
-20°C储存。超低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Rabacfosadine (GS-9219), a novel proagent of the nucleotide analogue PMEG, is designed as a cytotoxic agent that preferentially targets lymphoid cells.
In Vitro
In lymphocytes, Rabacfosadine (GS-9219) is converted to its active metabolite, 9-(2-phosphonylmethoxyethyl)guanine (PMEG) diphosphate, via enzymatic hydrolysis, deamination, and phosphorylation. GS-9219 has substantial antiproliferative activity against activated lymphocytes and hematopoietic tumor cell lines. The ability of Rabacfosadine to inhibit the proliferation of activated lymphocytes and of tumor cells of hematopoietic origin is investigated. Rabacfosadine inhibits the proliferation of mitogen-stimulated T and B lymphocytes with EC 50 values of 135 and 42 nM, respectively, as determined by BrdUrd incorporation. To compare the activity of GS-9219 in dividing and nondividing cells, Rabacfosadine is evaluated in these populations using a metabolism-based sodium XTT assay instead of BrdUrd assays. Results from the XTT assay shows a 127-fold difference between the EC 50 values of Rabacfosadine in quiescent (EC 50 =17.2 μM) and proliferating (EC 50 =135 nM) cells. These results indicate a substantial selectivity of Rabacfosadine toward actively replicating lymphoblasts. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Rabacfosadine (RAB) has substantial single-agent activity in dogs with lymphoma, and a different mechanism of action than Doxorubicin (DOX). Open-label, multicenter prospective clinical trial. Dogs receive alternating Rabacfosadine (1.0 mg/kg IV weeks 0, 6, 12) and Doxorubicin (30 mg/m 2 IV weeks 3, 9, 15). Dogs that achieved complete response (CR) are followed by monthly evaluations. Complete clinicopathological evaluation and assessment of remission and adverse event (AEs) are performed every 21 days. Acute AEs, occurring within 21 days after administration of the first dose of each agent, are compared between Rabacfosadine and Doxorubicin in 46 dogs receiving at least 1 dose of each agent. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
Dogs Dogs are given alternating doses of Rabacfosadine and Doxorubicin every 3 weeks. Rabacfosadine is administered at a dosage of 1.0 mg/kg as a 30-minute IV infusion on weeks 0, 6, and 12. Doxorubicin is administered at a dosage of 30 mg/m 2 (1.0 mg/kg for dogs weighing <15 kg) as an approximately 20-minute IV infusion on weeks 3, 9, and 15. Concurrent cytotoxic chemotherapy of any kind and concurrent corticosteroids are not allowed. A CBC is performed 1 week after the first Rabacfosadine and Doxorubicin treatments (weeks 1 and 4). All dogs have a physical examination with lymph node measurements, owner history, CBC, serum biochemistry profile (SBC), and urinalysis performed at each chemotherapy visit. Thoracic radiographs are recommended at week 15 and approximately every 2 months thereafter in responding dogs. Dose delays, reductions, or both, and supportive treatment for AEs are carried out at the discretion of the attending clinician. Dogs that experienced a complete response (CR) are followed with monthly physical examinations after week 15 until relapse, when they are considered off study. Dogs that experienced partial response (PR) or stable disease (SD) at week 15 are considered off study and censored from analysis at that time. At the time of study withdrawal, dogs are eligible for additional treatment at the discretion of the attending clinician. aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
规格
别名
雷巴福沙定
英文别名
HY-13640 | L-Alanine, N,N'-(((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis-, diethyl ester | RABACFOSADINE [MI] | DB12762 | rabacfosadina | Rabacfosadine [USAN:INN] | RABACFOSADINE [USAN] | Rabacfosadine | rabacfosadinum
规格或纯度
≥99%
英文名称
Rabacfosadine
生化机理
雷巴胂（GS-9219）是一种核苷酸类似物 PMEG 的新型原药，被设计为一种优先针对淋巴细胞的细胞毒剂。
储存条件
-20°C储存
运输条件
超低温运输
纯度
≥99%
名称和识别符
分子类型
小分子
IUPAC Name
ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
INCHI
1S/C21H35N8O6P/c1-5-34-19(30)13(3)27-36(32,28-14(4)20(31)35-6-2)12-33-10-9-29-11-23-16-17(24-15-7-8-15)25-21(22)26-18(16)29/h11,13-15H,5-10,12H2,1-4H3,(H2,27,28,32)(H3,22,24,25,26)/t13-,14-/m0/s1
InChi Key
ANSPEDQTHURSFQ-KBPBESRZSA-N
Smiles
CCOC(=O)C(C)NP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)NC3CC3)NC(C)C(=O)OCC
Isomeric SMILES
CCOC(=O)[C@H](C)NP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)NC3CC3)N[C@@H](C)C(=O)OCC
关联CAS
PubChem CID
MeSH Entry Terms
diethyl N,N'-(((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphonoyl)di-L-alaninate;GS-9219;rabacfosadine;VDC-1101
分子量
526.53
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 有机酸及其衍生物 |
| 类（Class) | 羧酸及其衍生物 |
| 亚类（Subclass） | 氨基酸、肽和类似物 |
| 中间层级节点（Intermediate Tree Nodes） | 氨基酸及其衍生物 - α氨基酸及其衍生物 |
| 直接上位类(Direct Parent) | α-氨基酸酯 |
| 其他上位类（Alternative Parents） | 丙氨酸及其衍生物 6-烷基氨基嘌呤 氨基嘧啶及其衍生物 N-取代咪唑 咪唑内酰胺类 二羧酸及其衍生物 有机膦酸及其衍生物 杂芳族化合物 羧酸酯 氮杂环化合物 伯胺 有机磷化合物 有机氧化物 碳氢化合物衍生物 羰基化合物 |
| 分子骨架（Molecular Framework) | 芳香族杂多环化合物 |
| 取代基（Substituents） | 6-烷基氨基嘌呤 - 6-氨基嘌呤 - 丙氨酸或衍生物 - α-氨基酸酐 - 氨基酸 - 氨基吡啶 - 芳香族杂多环化合物 - 氮杂环 - 吡唑 - 羰基 - 羧酸酰胺 - 二羧酸或其衍生物 - 杂芳香族化合物 - 烃衍生物 - 咪唑 - 咪唑哌啶 - 咪唑内酰胺 - N-取代咪唑 - 有机硝基化合物 - 有机氧化物 - 有机氧化合物 - 有机杂环化合物 - 有机氮化合物 - 有机氧化合物 - 有机磷酰胺 - 有机磷化合物 - 初级胺 - 鸟苷酸 - 嘧啶 |
| 描述（Description） | 该化合物属于α-氨基酸酯类有机化合物。这类化合物是α-氨基酸的酯类衍生物。 |
| 外部描述符（External Descriptors） | 暂无 |
三维结构
交互式化学结构模型
关联靶点（人）
CCRF-CEM
(65223 活性数据)
HL-60
(67320 活性数据)
关联靶点（其它种属）
SARS-CoV-2 (38078 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
DMSO : 100 mg/mL (189.92 mM; Need ultrasonic)
分子量
526.500 g/mol
XLogP3
0.500
氢键供体数Hydrogen Bond Donor Count
4
氢键受体数Hydrogen Bond Acceptor Count
13
可旋转键计数Rotatable Bond Count
17
精确质量Exact Mass
526.242 Da
单同位素质量Monoisotopic Mass
526.242 Da
拓扑极表面积Topological Polar Surface Area
185.000 Ų
重原子数Heavy Atom Count
36
形式电荷Formal Charge
0
复杂度Complexity
760.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
2
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
溶液计算器
常见问题
本产品的纯度是多少？
本产品的化学纯度（含量）为 ≥99%。批次的具体数值以分析证书（COA）为准。
本产品应如何储存？
请于?20 °C条件下保存。需冷冻保存以维持规定的有效期。
本产品如何运输？
本产品采用保温箱配冰袋运输。收货后请立即拆包，并按上述储存条件保存。
本产品的 CAS 号、分子式和分子量是多少？
本产品的 CAS 号为 859209-74-8，分子式为 C21H35N8O6P，分子量为 526.53 g/mol。InChIKey ANSPEDQTHURSFQ-KBPBESRZSA-N。
如何获取批次专用COA？
每个订单都会随附分析证书（COA），您也可以从账户订单历史中下载。如需订购前的COA，请联系您的客户代表，或使用PDP上的"申请COA"按钮——我们将提供代表性批次的COA。
产品仅提供给经过验证的企业、机构和合格的专业人员用于研发。不适用于人类、动物、诊断或治疗。
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