6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine

Modify Date: 2025-09-02 15:52:18

6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine Structure
6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine structure
Common Name 6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine
CAS Number 79080-83-4 Molecular Weight 782.74700
Density 1.28g/cm3 Boiling Point 997.5ºC at 760 mmHg
Molecular Formula C44H42BrN6O3+ Melting Point N/A
MSDS N/A Flash Point 557.1ºC

 Names

Name 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine,dibromide

 Chemical & Physical Properties

Density 1.28g/cm3
Boiling Point 997.5ºC at 760 mmHg
Molecular Formula C44H42BrN6O3+
Molecular Weight 782.74700
Flash Point 557.1ºC
Exact Mass 781.25000
PSA 139.53000
LogP 6.41440
Index of Refraction 1.697
InChIKey JIGNUYNMKSDSFL-UHFFFAOYSA-O
SMILES C[n+]1c(-c2cccc(OCCOCCOc3cccc(-c4c5cc(N)ccc5c5ccc(N)cc5[n+]4C)c3)c2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]

 Synthetic Route

~%

6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine Structure

6-[3-[2-[2-[3-(...

CAS#:79080-83-4

Literature: Kuhlmann; Mosher Journal of Medicinal Chemistry, 1981 , vol. 24, # 11 p. 1333 - 1337

~%

6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6H-phenanthridin-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-6H-phenanthridine-3,8-diamine Structure

6-[3-[2-[2-[3-(...

CAS#:79080-83-4

Literature: Kuhlmann; Mosher Journal of Medicinal Chemistry, 1981 , vol. 24, # 11 p. 1333 - 1337

 Bioassay

View more

Name: Antitumor activity in mice against leukemia P388 cells at 1.7 uM/kg
Source: ChEMBL
Target: P388
External Id: CHEMBL761355
Name: Antitumor activity in mice against leukemia P388 cells at 1.7 uM/kg was expressed as ...
Source: ChEMBL
Target: P388
External Id: CHEMBL761356
Name: Antitumor activity in mice against leukemia P388 cells at 3.4 uM/kg
Source: ChEMBL
Target: P388
External Id: CHEMBL756303
Name: Antitumor activity in mice against leukemia P388 cells at 3.4 uM/kg was expressed as ...
Source: ChEMBL
Target: P388
External Id: CHEMBL756304
Name: Antitumor activity in mice against melanoma B16 cells at 0.55 uM/kg
Source: ChEMBL
Target: B16
External Id: CHEMBL650198
Name: Antitumor activity in mice against leukemia P388 cells at 0.85 uM/kg
Source: ChEMBL
Target: P388
External Id: CHEMBL761349
Name: Antitumor activity in mice against melanoma B16 cells at 0.55 uM/kg was expressed as ...
Source: ChEMBL
Target: B16
External Id: CHEMBL650199
Name: Antitumor activity in mice against leukemia P388 cells at 0.85 uM/kg was expressed as...
Source: ChEMBL
Target: P388
External Id: CHEMBL761350
Name: Antitumor activity in mice against melanoma B16 cells at 1.1 uM/kg
Source: ChEMBL
Target: B16
External Id: CHEMBL876524
Name: Antitumor activity in mice against leukemia P388 cells at 0.43 uM/kg
Source: ChEMBL
Target: P388
External Id: CHEMBL761347
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