Basic information
- CAS
19685-10-0- Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1- InChIKey
KLFJSYOEEYWQMR-NRFANRHFSA-N- Molecular formula
- C21H18N2O5
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.12157168
Overview
10-Methoxycamptothecin has been reported in Camellia sinensis, Perilla frutescens, and other organisms with data available.
Names & identifiers
- Preferred name
- 10-Methoxycamptothecin
- IUPAC
- (19S)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
- English name
- 10-Methoxycamptothecin
- Molecular formula
- C21H18N2O5
- Molecular weight
- 378.38
Names & synonyms
10-Methoxycamptothecin19685-10-0(19S)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione(19S)-19-ethyl-19-hydroxy-7-methoxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dioneRefChem:77566(19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dioneMethoxycamptothecin10-Methoxycamptothecine(4s)-4-ethyl-4-hydroxy-9-methoxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dioneNSC 111533Camptothecin, methoxy-SCHEMBL1035263
Show more names
product/154918Camptothecin Impurity 8 (10-Methoxycamptothecin)10 Methoxycamptothecin,Inhibitor,10Methoxycamptothecin,inhibit,10-Methoxycamptothecin(4S)-9-Methoxy-4α-ethyl-4β-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-9-methoxy-, (4S)-
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 790
Experimental & physicochemical properties
LogP1.76
Physicochemical properties
- Melting point
- 254 · 254-255℃
- Boiling point
- 773.1 · 773.1±60.0 °C(Predicted)
- Density
- 1.5 · 1.50
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- pka
- 11.21 · 11.21±0.20(Predicted)
- color
- White to yellow
- InChI
- InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
- InChIKey
- KLFJSYOEEYWQMR-NRFANRHFSA-N
- SMILES
- N1C2C(=CC(OC)=CC=2)C=C2CN3C(C=12)=CC1[C@](CC)(O)C(=O)OCC=1C3=O
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Applications
DescriptionA minor constituent of Mappia foetida Miers. The alkaloid yields pale yellow crystals when purified from CHC13-MeOH. It is laevorotatory with [α]24D - 77.5° (c 1.0, pyridine). The structure has been established by spectroscopic methods.
Uses10-Methoxycamptothecin is a Camptothecin (C175150) derivative used in the treatment of cancers. Used in the treatment of hyperproliferative diseases.
Uses9-Methoxycamptothecin is an alkaloid derivative of Camptothecin (C175150) derivative used in the treatment of cancers. Camptothecin is a potent anti-cancer agent.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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