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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
Structure of SIMMITECAN FREE BASE

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

HIDE SMILES / InChI
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.

Approval Year

PubMed

PubMed

TitleDatePubMed
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

Sample Use Guides

SD rats were injected with a single iv bolus doses of Simmitecan (3.75, 7.5 and 15 mg/kg).
Route of Administration: Intravenous
Name Type Language
SIMMITECAN FREE BASE
Common Name English
(1,4'-BIPIPERIDINE)-1'-CARBOXYLIC ACID, (4S)-4-ETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-10-(2-PROPEN-1-YL)-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL ESTER
Common Name English
Code System Code Type Description
FDA UNII
34Q82842ZK
Created by admin on Sat Dec 16 07:57:54 GMT 2023 , Edited by admin on Sat Dec 16 07:57:54 GMT 2023
PRIMARY
PUBCHEM
24873300
Created by admin on Sat Dec 16 07:57:54 GMT 2023 , Edited by admin on Sat Dec 16 07:57:54 GMT 2023
PRIMARY
CAS
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
PRIMARY