Teglarinad chloride, 烟酰胺磷酸核糖转移酶抑制剂

COA

级别和纯度:

≥98%

CAS编号: 432037-57-5
分子式: C₃₀H₄₃Cl₂N₅O₈
分子量: 672.60
PubChem编号: 9961434

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货号 (SKU)	包装规格	是否现货
T651316-1mg	1mg	期货
T651316-5mg	5mg	期货
T651316-10mg	10mg	期货

查看相关系列

Glucose Metabolism (3713) GMX1778的前体 (1) Metabolic Enzyme/Protease (4889) NAMPT (29)

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基本描述

别名	氯化替格拉利奈
英文别名	PYRIDINIUM, 4-((((6-(4-CHLOROPHENOXY)HEXYL)IMINO)(CYANOAMINO)METHYL)AMINO)-1-(3-OXO-2,4,7,10,13,16-HEXAOXAHEPTADEC-1-YL)-, CHLORIDE (1:1) \| Teglarinad chloride [USAN:INN] \| MS-31058 \| [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1
规格或纯度	≥98%
英文名称	Teglarinad chloride
生化机理	Teglarinad chloride（GMX1777）是 GMX1778（一种烟酰胺磷酸核糖转移酶抑制剂）的原药。Teglarinad Chloride 对小鼠的抗肿瘤活性可归因于对 NAMPT 的抑制。Teglarinad Chloride 还能增强辐射效应。
储存温度	-20°C储存,干燥
运输条件	超低温冰袋运输
作用类型	抑制剂
作用机制	烟酰胺磷酸核糖转移酶抑制剂
产品介绍	Teglarinad chloride (GMX1777) is a proagent of GMX1778 (a nicotinamide phosphoribosyl transferase inhibitor). Teglarinad chloride exhibits antitumor activity in mice can be attributed to inhibition of NAMPT. Teglarinad chloride also enhances radiation efficacy, mediated by interference with DNA repair and antiangiogenesis. In Vivo GMX1777 (75 mg/kg; 24 h intravenous infusion) causes tumor regression in the IM-9 model, a small-cell lung cancer (SHP-77) model, and a colon carcinoma (HCT-116) model. GMX1777 (50-100 mg/kg/d, i.m. for 5 d) with or without local tumor radiotherapy is effective for both FaDu and C666-1 tumors in vivo . GMX1777 (25-400 mg/kg; 24 h intravenous infusion) is quickly converted to GMX1778 in plasma of mice with a half-life of GMX1777 less than 0.7 h. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CB17 SCID/SCID female mice bearing subcutaneous IM-9 multiple myeloma tumorsDosage: 18.75, 35, 75 mg/kg Administration: A 24 h intravenous infusion Result: Induced a nearly complete regression of the tumors and a significant tumor growth delay at the dose of 75 mg/kg. Reduced IM-9 tumor growth moderately at 37.5 mg/kg. Form:Solid
纯度	≥98%

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	[4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl carbonate;chloride
INCHI	1S/C30H42ClN5O8.ClH/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28;/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34);1H
InChi Key	DAHMXVAETAAQOZ-UHFFFAOYSA-N
Smiles	COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]
Isomeric SMILES	COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]
关联CAS	432037-57-5
PubChem CID	9961434
MeSH Entry Terms	1-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxycarbonyloxymethyl)-4-(N'-cyano-N''-(6-(4-chlorophenoxy)hexyl)-N-guanidino)pyridinium;1-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxycarbonyloxymethyl)-4-(N'-cyano-N''-(6-(4-chlorophenoxy)hexyl)-N-guanidino)
分子量	672.60

化学和物理性质

溶解性	DMSO : 200 mg/mL (297.35 mM; Need ultrasonic)
敏感性	对湿度敏感
分子量	672.600 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	11
可旋转键计数Rotatable Bond Count	27
精确质量Exact Mass	671.249 Da
单同位素质量Monoisotopic Mass	671.249 Da
拓扑极表面积Topological Polar Surface Area	146.000 Å²
重原子数Heavy Atom Count	45
形式电荷Formal Charge	0
复杂度Complexity	802.000
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	2

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