N-((N,N-dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide

更新时间：2025-09-24 09:47:47

N-((N,N-dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide结构式	常用名	N-((N,N-dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide	英文名	N-((N,N-dimethylamino)ethyl)-5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
	CAS号	142439-63-2	分子量	422.26400
	密度	1.388g/cm3	沸点	557ºC at 760mmHg
	分子式	C₁₅H₂₁Cl₂N₅O₅	熔点	N/A
	MSDS	N/A	闪点	290.6ºC

英文名	5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide
英文别名	更多

密度	1.388g/cm3
沸点	557ºC at 760mmHg
分子式	C₁₅H₂₁Cl₂N₅O₅
分子量	422.26400
闪点	290.6ºC
精确质量	421.09200
PSA	130.71000
LogP	3.69960
InChIKey	KHXWXJZPAQGKDJ-UHFFFAOYSA-N
SMILES	CN(C)CCNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-]
蒸汽压	1.93E-12mmHg at 25°C
折射率	1.599

N-[2-(N,N-dimet...

142439-70-1

3-BROMO-6,7-DIH...

334-22-5

~57%

N-((N,N-dimethy...

142439-63-2

文献：Palmer, Brian D.; Wilson, William R.; Cliffe, Stephen; Denny, William A. Journal of Medicinal Chemistry, 1992 , vol. 35, # 17 p. 3214 - 3222

5-氯-2,4-二硝基苯甲酸

136833-36-8

N-((N,N-dimethy...

142439-63-2

文献：Palmer, Brian D.; Wilson, William R.; Cliffe, Stephen; Denny, William A. Journal of Medicinal Chemistry, 1992 , vol. 35, # 17 p. 3214 - 3222

2,4,7-trimethyl...

50425-06-4

N-((N,N-dimethy...

142439-63-2

文献：Palmer, Brian D.; Wilson, William R.; Cliffe, Stephen; Denny, William A. Journal of Medicinal Chemistry, 1992 , vol. 35, # 17 p. 3214 - 3222

上游产品 4
CAS号142439-70-1 N-[2-(N,N-dimet... CAS号334-22-5 3-BROMO-6,7-DIH... CAS号136833-36-8 5-氯-2,4-二硝基苯甲酸 CAS号50425-06-4 2,4,7-trimethyl...
下游产品 0

实验名称：Tested for the product of drug concentration and exposure time required to reduce UV4...
来源：ChEMBL
靶标：UV4
External Id：CHEMBL817250

实验名称：Compound was tested for the concentration required to reduce cell survival under hypo...
来源：ChEMBL
靶标：UV4
External Id：CHEMBL817249

实验名称：Antiproliferative activity against chinese hamster wild-type V79 NTR-ve cells after 1...
来源：ChEMBL
靶标：V79
External Id：CHEMBL913786

实验名称：Antiproliferative activity against chinese hamster V79 NTRpuro cells after 18 hrs
来源：ChEMBL
靶标：V79
External Id：CHEMBL913787

实验名称：Selectivity ratio of IC50 for V79 NTR-ve cells to IC50 for V79 NTRpuro cells
来源：ChEMBL
靶标：V79
External Id：CHEMBL913788

实验名称：Compound was tested for the concentration required to reduce cell survival under hypo...
来源：ChEMBL
靶标：CHO-AA8
External Id：CHEMBL619674

实验名称：Potency in clonogenic assay, defined by hypersensitivity factor calculated for UV4 ce...
来源：ChEMBL
靶标：N/A
External Id：CHEMBL817254

实验名称：Solubility in alpha MEM
来源：ChEMBL
靶标：N/A
External Id：CHEMBL914826

实验名称：Stability in alpha MEM at 37 degC after 24 hrs
来源：ChEMBL
靶标：N/A
External Id：CHEMBL914827

实验名称：Antiproliferative activity against human WiDr NTRneo cells after 18 hrs
来源：ChEMBL
靶标：WiDr
External Id：CHEMBL913793

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