Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C34H38N4O6 |
| Molecular Weight | 598.6887 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=CC(OC(=O)N6CCC(CC6)N7CCCCC7)=C(CC=C)C5=C4)C2=O
InChI
InChIKey=XPVBLGRILRVSLF-UMSFTDKQSA-N
InChI=1S/C34H38N4O6/c1-3-8-23-24-17-21-19-38-28(18-26-25(31(38)39)20-43-32(40)34(26,42)4-2)30(21)35-27(24)9-10-29(23)44-33(41)37-15-11-22(12-16-37)36-13-6-5-7-14-36/h3,9-10,17-18,22,42H,1,4-8,11-16,19-20H2,2H3/t34-/m0/s1
| Molecular Formula | C34H38N4O6 |
| Molecular Weight | 598.6887 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
HaiHe Biopharma (Shanghai HaiHe Pharmaceutical) is developing simmitecan, an ester pro-drug of chimmitecan for the treatment of cancer. Simmitecan is in phase I development for solid tumours and colorectal cancer in China. Simmitecan (L-P) is a water-soluble ester prodrug of chimmitecan (L-2-Z) with potent anti-tumor activities in different experimental animals. Chimmitecan，a novel CPT derivative, exhibited potent antitumor activities both in vitro and in vivo by inhibiting topoisomerase I.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Accurate determination of the anticancer prodrug simmitecan and its active metabolite chimmitecan in various plasma samples based on immediate deactivation of blood carboxylesterases. | 2011 Sep 23 |
|
| Pharmacokinetic evaluation of the anticancer prodrug simmitecan in different experimental animals. | 2013 Nov |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:57:54 GMT 2023
by
admin
on
Sat Dec 16 07:57:54 GMT 2023
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| Record UNII |
34Q82842ZK
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| Record Status |
Validated (UNII)
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| Record Version |
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34Q82842ZK
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24873300
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951290-31-6
Created by
admin on Sat Dec 16 07:57:54 GMT 2023 , Edited by admin on Sat Dec 16 07:57:54 GMT 2023
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SALT/SOLVATE -> PARENT |
