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Merck
CN

09626

原卟啉 IX 二甲酯

~90% (HPLC)

别名:

二甲基-8,13-二乙烯基3,7,12,17四甲基-21H,23H-卟吩-2,18二丙, 间卟啉二甲酯

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关于此项目

经验公式（希尔记法）:
C36H38N4O4
化学文摘社编号:
5522-66-7
分子量:
590.71
NACRES:
NA.32
PubChem Substance ID:
329748780
UNSPSC Code:
12171500
EC Number:
226-870-3
MDL number:
MFCD00064531
Beilstein/REAXYS Number:
381574

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产品名称

原卟啉 IX 二甲酯, ~90% (HPLC)

solubility

chloroform: soluble
diethyl ether: soluble
DMSO: soluble
THF: soluble
acetone: soluble
ethyl acetate: soluble
methanol: soluble

SMILES string

COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)c(C)c4C=C)c(C)c3C=C
COC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5C)c(C)c4C=C)c(C)c3C=C

InChI key

XNCGCBXDDMJCKW-MFBGAUBSSA-N

InChI

1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,38-39H,1-2,11-14H2,3-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-

assay

~90% (HPLC)

form

powder

mp

225-228 °C (lit.)

Quality Level

100

Gene Information

human ... TERT(7015)

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Application

原卟啉IX二甲基酯已被证明是人鼻咽癌的一种有效光敏剂。

Packaging

无底玻璃瓶。内含物在插入的融合锥体内。

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCL4841
BCCF8438
BCCC1184
BCBT7964
BCBS7525V

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L L Gladkov et al.
Biofizika, 42(1), 26-33 (1997-01-01)
Normal coordinate analysis has been carried out for the Fe(III) protoporphyrin IX dimethyl ester molecule and its vinyl deuterated analogs. All atoms of substituents were included explicitly in the calculations. On the basis of the calculation results the assignment of
Hiroshi Fujii
Journal of the American Chemical Society, 124(21), 5936-5937 (2002-05-23)
13CN ion appears to have the greatest potential to probe the heme environment of the ferric heme proteins; however, a resonance of the iron-bound (13)CN ion in ferric heme proteins has not yet been located. We show here the first
J M Wessels et al.
International journal of radiation biology, 64(5), 475-484 (1993-11-01)
The degradation of sensitizers used in photodynamic therapy (PDT) involves photooxidation either by molecular oxygen or by oxygen intermediates which leads to hydroxyaldehyde and formyl products or to ring opening. Our investigations focused on the spectroscopic changes which protoporphyrin-dimethylester (PP)
Jianzhong Yao et al.
Bioorganic & medicinal chemistry letters, 18(1), 293-297 (2007-11-17)
Novel benzochloroporphyrin derivatives (BCPDs) were designed, synthesized, and characterized. In vitro dark cytotoxicity and photodynamic efficacy of BCPDs were evaluated by MTT assay on human hepatoma BEL-7402 cells. The experimental results showed that BCPDs 15, 16, 17, and 18 have
I I Makarenkova
Radiobiologiia, 26(5), 598-603 (1986-09-01)
The mechanism of the inverse oxygen effect in the irreversible radiation-induced chemical alterations in protoporphyrin in sulfuric acid solution was investigated. The decrease of the molecular decay yield was shown to associate with the ability of oxygen to exclude H
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