Rosabulin

COA

级别和纯度:

Moligand™

≥98%

CAS编号: 501948-05-6
分子式: C₂₂H₁₆N₄O₂S
分子量: 400.45
PubChem编号: 9843935

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货号 (SKU)	包装规格	是否现货
R648397-1mg	1mg	现货
R648397-25mg	25mg	现货
R648397-5mg	5mg	现货

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Cell Cycle (7376) Cell Cycle/DNA Damage (2603) Cytoskeleton (497) Microtubule/Tubulin (197)

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基本描述

别名	罗莎布林 \| 罗沙布林 \| STA 5312 \| 3-[(4-氰基苯基)甲基]-N-(3-甲基-5-异噻唑基)-ALPHA-氧代-1-中氮茚乙酰胺
英文别名	3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamide \| 1-Indolizineacetamide, 3-((4-cyanophenyl)methyl)-N-(3-methyl-5-isothiazolyl)-alpha-oxo- \| 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-o
规格或纯度	Moligand™, ≥98%
英文名称	Rosabulin
生化机理	Rosabulin (STA 5312) 是一种有效的微管 (microtubule) 抑制剂，可抑制微管组装。Rosabulin 具有广谱抗肿瘤活性。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	In Vitro Rosabulin (STA 5312) demonstrates substantial anti-proliferative activity against a wide range of cancer cell linesin vitro, including hematologic and solid tumor cell lines of various origins (e.g. leukemia, lymphoma, breast, colon, uterine), with IC 50 values extending down into the nanomolar range. Cell lines with multi-drug resistant (MDR) phenotypes are similarly sensitive to Rosabulin. The mechanism of action for Rosabulin is inhibition of microtubule assembly and subsequent arrest of the cell cycle. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo When dosed orally or intravenously, Rosabulin (STA 5312) has shown in vivo activity in several murine tumors as well as human tumor xenograft models, including drug resistant tumors . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid
纯度	≥98%

关联靶点（人）

DU-145 (51482 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

P388 (20296 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

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

名称和识别符

分子类型	小分子
IIUPAC Name	2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
INCHI	1S/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
InChi Key	IZZYUABKZYIINT-UHFFFAOYSA-N
Smiles	CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#N
Isomeric SMILES	CC1=NSC(=C1)NC(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)C#N
关联CAS	501948-05-6
PubChem CID	9843935
分子量	400.45

化学和物理性质

溶解性	DMSO : 50 mg/mL (124.86 mM; Need ultrasonic)
分子量	400.500 g/mol
XLogP3	4.700
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	400.099 Da
单同位素质量Monoisotopic Mass	400.099 Da
拓扑极表面积Topological Polar Surface Area	116.000 Å²
重原子数Heavy Atom Count	29
形式电荷Formal Charge	0
复杂度Complexity	669.000
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	0
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