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替西罗莫司

替西罗莫司

选择性mTORC1复合抑制剂（IC 50 = 1.76 μM）

规格或纯度: ≥98%

CAS编号: 162635-04-3
分子式: C₅₆H₈₇NO₁₆
分子量: 1030.29
PubChem编号: 6918289

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货号 (SKU)	包装规格	是否现货
T126606-5mg	5mg	现货
T126606-25mg	25mg	现货
T126606-100mg	100mg	现货

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mechanistic target of rapamycin kinase Inhibitor

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基本描述

规格或纯度	≥98%
英文名称	Temsirolimus (CCI-779, NSC 683864)
别名	西罗莫司脂化物；雷帕霉素42-[3-羟基-2-(羟甲基)-2-甲基丙酸酯]
英文别名	Torisel;CCI-779;CCI 779;CCI779;Rapamycin 42-(2,2-bis(hydroxymethyl)propionate);Rapamycin 42-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
生化机理	Temsirolimus (also known as CCI-779) is a recently developed mTOR inhibitor. with improved aqueous solubility and more favorable pharmaceutical properties compared with the parent compound rapamycin.Selective mTORC1 complex inhibitor (IC 50 = 1.76 μM). Water-soluble rapamycin pro-drug. Rapidly converts to rapamycin in vivo . Inhibits proliferation and angiogenesis and induces apoptosis and autophagy in vivo .
储存温度	-20°C储存
运输条件	超低温冰袋运输
备注	如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
产品介绍	Temsirolimus (CCI-779) 抑制mTOR激酶活性 IC50值为1.76 ± 0.15 μM。A potent inhibitor of FRAP (mTOR) kinase activity Temsirolimus (CCI-779) directly inhibits mTOR kinase activity with IC50 values of 1.76 ± 0.15 μM. A potent inhibitor of FRAP (mTOR) kinase activity application： Temsirolimus is used as a rapamycin derivative with anti-cancer activity that inhibits mTOR. Temsirolimus is an antiproliferative and antiangiogenic, the first-in-class mTOR inhibitor approved for the treatment of patients with advanced poor prognosis renal cell carcinoma.

名称和标识符

IUPAC Name	[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
INCHI	InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1
InChi Key	CBPNZQVSJQDFBE-FUXHJELOSA-N
Canonical SMILES	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC
分子式	C₅₆H₈₇NO₁₆
PubChem CID	6918289
分子量	1030.29

数据库链接

PubChem CID	6918289
CAS Registry No.	162635-04-3
ChEMBL Ligand	CHEMBL1201182
Wikipedia	Temsirolimus
DrugBank Ligand	DB06287
PEP	temsirolimus
DrugCentral Ligand	4161
RCSB PDB Ligand	A4I

化学和物理性质

溶解性	DMSO ≥200mg/mL Water ≥1.2mg/mL Ethanol ≥200mg/mL

安全信息

象形图	Health Hazard Environmental Hazard
信号词	Danger
危险声明	H410: Very toxic to aquatic life with long lasting effects H360: May damage fertility or the unborn child
预防措施声明	P273,P280,P405,P501,P391,P203,P318
WGK Germany	3
个人防护装备	dust mask type N95 (US), Eyeshields, Faceshields, Gloves

靶标

Target ID

2109

名称

mechanistic target of rapamycin kinase

缩写名

mTOR

家族

FRAP subfamily

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	2	2549	1p36.22	MTOR	mechanistic target of rapamycin kinase
Mouse	2	2549	4 78.76 cM	Mtor	mechanistic target of rapamycin kinase
Rat	2	2549	5q36	Mtor	mechanistic target of rapamycin kinase

Ensembl Gene

ENSG00000198793 (Hs) , ENSMUSG00000028991 (Mm) , ENSRNOG00000009615 (Rn)

Entrez Gene

2475 (Hs) , 56717 (Mm) , 56718 (Rn)

OMIM

601231 (Hs)

UniProtKB

P42345 (Hs) , P42346 (Rn) , Q9JLN9 (Mm)

RefSeq Nucleotide

NM_004958 (Hs) , NM_019906 (Rn) , NM_020009 (Mm)

RefSeq Protein

NP_004949 (Hs) , NP_063971 (Rn) , NP_064393 (Mm)

Protein GI

4826730 (Hs) , 227330586 (Mm) , 9845251 (Rn)

DrugBank Target

P42345 (Hs)

CATH/Gene3D

1.10.1070.11 (N/A) , 1.20.120.150 (N/A) , 1.25.10.10 (N/A)

ChEMBL Target

CHEMBL1075134 (Rn) , CHEMBL1255165 (Mm) , CHEMBL2842 (Hs)

关联配体

Ligand ID	5892
名称	temsirolimus
别名	CCI-779
类别	Synthetic organic
学名	4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
生物活性评价	The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in ).
评价	Temsirolimus is a Type-3 kinase inhibitor and was first approved by the FDA in 2007. There is some ambiguity in the literature surrounding the exact stereochemistry of temsirolimus. Other common representations are CID 23724530, CID 24847874 and CID 9876533. Our representation and the PubChem and ChEMBL links in the table above show a structure identical to that contained in the INN record for this drug.

参考文献

1. Kuroshima K et al.. (2020) Potential new therapy of Rapalink-1, a new generation mammalian target of rapamycin inhibitor, against sunitinib-resistant renal cell carcinoma.. Cancer Sci, 111 (5): (1607-1618). [PMID:32232883]
2. Stepanenko AA et al.. (2016) Temozolomide promotes genomic and phenotypic changes in glioblastoma cells.. Cancer Cell Int, 16 (): (36). [PMID:27158244]