Home > Product Catalog > Product category > Nucleoside > 5-[3-[[3-[1-[2-[[[4-[[6-[[(2-Boronophenyl)methyl]amino]-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl]methyl]phenyl]methyl]amino]-2-oxoethyl]-1H-1,2,3-triazol-4-yl]-1-oxopropyl]amino]-1-propyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

5-[3-[[3-[1-[2-[[[4-[[6-[[(2-Boronophenyl)methyl]amino]-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl]methyl]phenyl]methyl]amino]-2-oxoethyl]-1H-1,2,3-triazol-4-yl]-1-oxopropyl]amino]-1-propyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

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Catalog No. : NC398203

CAS No. : 1103778-41-1

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₆H₄₇BN₉O₂₀P₃

Chemical Name : 5-[3-[[3-[1-[2-[[[4-[[6-[[(2-Boronophenyl)methyl]amino]-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl]methyl]phenyl]methyl]amino]-2-oxoethyl]-1H-1,2,3-triazol-4-yl]-1-oxopropyl]amino]-1-propyn-1-yl]-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 1,149.65

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Basic information

Standard English name
Cas No.	1103778-41-1
Alias	(((2R,3S,5R)-5-(5-(3-(3-(1-(2-((4-((6-((2-boronobenzyl)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)benzyl)amino)-2-oxoethyl)-1H-1,2,3-triazol-4-yl)propanamido)prop-1-yn-1-yl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C#CCNC(=O)CCC2=CN(CC(=O)NCC3C=CC(CN4C(=O)C5C=CC=C6C=5C(=CC=C6NCC5=CC=CC=C5B(O)O)C4=O)=CC=3)N=N2)C(=O)NC1=O
MDL No.
Exact Mass	1,149.22433
Smiles	O[C@@H](C[C@H](N1C(NC(C(C#CCNC(CCC2=CN(CC(NCC3=CC=C(CN(C(C4=CC=C(NCC5=CC=CC=C5B(O)O)C6=CC=CC7=C46)=O)C7=O)C=C3)=O)N=N2)=O)=C1)=O)=O)O8)[C@H]8COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C46H47BN9O20P3/c57-37-19-41(74-38(37)26-73-78(69,70)76-79(71,72)75-77(66,67)68)55-23-30(43(60)51-46(55)63)6-4-18-48-39(58)17-14-31-24-54(53-52-31)25-40(59)50-20-27-10-12-28(13-11-27)22-56-44(61)33-8-3-7-32-36(16-15-34(42(32)33)45(56)62)49-21-29-5-1-2-9-35(29)47(64)65/h1-3,5,7-13,15-16,23-24,37-38,41,49,57,64-65H,14,17-22,25-26H2,(H,48,58)(H,50,59)(H,69,70)(H,71,72)(H,51,60,63)(H2,66,67,68)/t37-,38+,41+/m0/s1
InchiKey	DZAMRNVXBLPLQA-XELUODRTSA-N
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History

NC398200

(1'ξ)-N-(3-Carboxybicyclo[2.2.1]hept-5-en-2-yl)-5'-S-(2-fluorophenyl)-5'-thioadenosine