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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H38N4O6.ClH
Molecular Weight 635.15
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMMITECAN

SMILES

Cl.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=UWNITDCAZZJJFF-GXUZKUJRSA-N
InChI=1S/C34H38N4O6.ClH/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;1H/t34-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C34H38N4O6
Molecular Weight 598.6887
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Sample Use Guides

In Vivo Use Guide
SD rats were injected with a single iv bolus doses of Simmitecan (3.75, 7.5 and 15 mg/kg).
Route of Administration: Intravenous
Substance Class Chemical
Record UNII
T4H02O147G
Record Status Validated (UNII)
Record Version