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114899-80-8,MFCD30718178
Catalog No.:AA01EOO0

114899-80-8 | Ecteinascidin 770

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5mg
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$965.00   $675.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01EOO0
Chemical Name:
Ecteinascidin 770
CAS Number:
114899-80-8
Molecular Formula:
C40H42N4O10S
Molecular Weight:
770.8473
MDL Number:
MFCD30718178
SMILES:
N#C[C@H]1[C@@H]2Cc3cc(C)c(c(c3[C@@H](N2C)[C@H]2N1[C@H]1COC(=O)[C@]3(CS[C@@H]2c2c1c1OCOc1c(c2OC(=O)C)C)NCCc1c3cc(OC)c(c1)O)O)OC
Properties
Computed Properties
 
Complexity:
1550  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
3.7  

Literature

Title: Chemistry of ecteinascidins. Part 3: preparation of 2'-N-acyl derivatives of ecteinascidin 770 and evaluation of cytotoxicity.

Journal: Bioorganic & medicinal chemistry 20110801

Title: Synthetic approaches toward ecteinascidins. Part 2. Preparation of the ABCDE ring system of ecteinascidins having characteristic substituents in both benzene rings.

Journal: Chemical & pharmaceutical bulletin 20030701

Title: Tabunoki H, et al. Molecular network profiling of U373MG human glioblastoma cells following induction of apoptosis by novel marine-derived anti-cancer 1,2,3,4-tetrahydroisoquinoline alkaloids. Cancer Cell Int. 2012 Apr 11;12(1):14.

Title: Saktrakulkla P, et al. Chemistry of ecteinascidins. Part 3: preparation of 2'-N-acyl derivatives of ecteinascidin 770 and evaluation of cytotoxicity. Bioorg Med Chem. 2011 Aug 1;19(15):4421-36.

Title: Powan P, et al. Ecteinascidin 770, a tetrahydroisoquinoline alkaloid, sensitizes human lung cancer cells to anoikis. Anticancer Res. 2013 Feb;33(2):505-12.

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