structure of exatecan mesilate CAS16969 90 38 - Exatecan mesilate CAS 16969-90-38

Iden­ti­fi­ca­tion

CAS Number

16969-90-38

Name

Exate­can mesilate

Syn­onyms

(1S,9S)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-10,13-dione methane­sul­fonate (1:1) [ACD/IUPAC Name]
10H,13H-Benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S,9S)-, methane­sul­fonate (1:1) (salt) [ACD/​Index Name]
169869-90-3 [RN]
Acide méthane­sul­fonique – (1S,9S)-1-amino-9-éthyl-5-fluoro-9-hydroxy-4-méthyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoléine-10,13-dione (1:1) [French] [ACD/IUPAC Name]
EXATE­CAN MESY­LATE ANHY­DROUS
Methansul­fon­säure –(1S,9S)-1-amino-9-ethyl-5-fluor-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]chinolin-10,13-dion (1:1) [Ger­man] [ACD/IUPAC Name]
(1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-1,2,3,9,12,15-hexahydro-10H,13H-benzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-10,13-dione,methanesulfonic acid
(1S,9S)-1-amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-2,3,12,15-tetrahydrobenzo[de]pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-10,13(1H,9H)-dione methane­sul­fonate
169869-90-3 (mesy­late)
171335-80-1 [RN]
5-(2,5-Dimethyl-4-(prop-1-en-1-yl)phenoxy)-2,2-dimethylpentanoic acid
DX 8951f
DX8951f
DX-8951f
DX8951f ;DX 8951f;DX-8951f
Exate­can (Mesy­late)
Exate­can mesi­late
Exate­can Mes­late
Exate­can Mesy­late [USAN]
MFCD04113012

SMILES

CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cc(c(c6c5c4[C@H](CC6)N)C)F)O.CS(=O)(=O)O

Std­InChI

InChI=1S/C24H22FN3O4.CH4O3S/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;1-5(2,3)4/h6-7,16,31H,3-5,8-9,26H2,1-2H3 ;1H3,(H,2,3,4)/t16-,24-;/m0./s1

Std­InChIKey

BICY­DY­D­JH­S­BMFS-GRGFAMG­GSA-N

Mol­e­c­u­lar Formula

C25H26FN3O7S

Mol­e­c­u­lar Weight

531.553

MDL Number

MFCD04113012

Prop­er­ties

Appear­ance

pale yel­low solid

Safe­ty Data

Sym­bol

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our 

Iden­ti­fi­ca­tion Methods

HNMR

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Store at 2-8℃ for long time, sealed.

Known Appli­ca­tion

Exate­­can-mesi­late is a med­ica­tion that is pri­mar­i­ly used for the treat­ment of cer­tain can­cers. It belongs to a class of drugs called topoi­so­merase I inhibitors, which work by block­ing the repli­ca­tion and repair process­es of DNA, inhibit­ing the growth and spread of can­cer cells. Exate­­can-mesi­late is wide­ly used in the treat­ment of malig­nan­cies such as ovar­i­an can­cer and small cell lung can­cer. Exate­­can-mesi­late binds to DNA, inhibit­ing the activ­i­ty of topoi­so­merase I and lead­ing to DNA dam­age and cell apop­to­sis in can­cer cells.

In addi­tion to being used as a monother­a­py, Exate­­can-mesi­late it can also be used in com­bi­na­tion with oth­er anti­cancer drugs to enhance treat­ment effi­ca­cy. It is employed as a front­line or sal­vage ther­a­py option, typ­i­cal­ly deter­mined by health­care pro­fes­sion­als based on the spe­cif­ic cir­cum­stances and can­cer type of the patient.

Gen­er­al View of Documents

HPLC of exatecan mesilate CAS16969 90 38 - Exatecan mesilate CAS 16969-90-38

HPLC of exate­can mesi­late CAS16969-90-38

NMR of exatecan mesilate CAS16969 90 38 - Exatecan mesilate CAS 16969-90-38

NMR of exate­can mesi­late CAS16969-90-38

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Lim­it­ed (https://​www​.cam​ing​.com/).

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