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Rubitecan structure, CAS 91421-42-0

Rubitecan

CAS Number91421-42-0

Synonymsrubitecan; MFCD06656294; PYRIDOXINE 3,4-DIPALMITATE; 9-nitro-20(s)-camptothecin; (4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Orathecin

Molecular FormulaC20H15N3O6

Molecular Weight393.35

Purity≥98 (HPLC)%

Density1.6±0.1 g/cm3

Boiling Point816.3±65.0 °C at 760 mmHg

Melting Point182-186 °C

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9012353 Purity: ≥98 (HPLC)%
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Quality Control of [ 91421-42-0 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number91421-42-0
Catalog No.2A-9012353
Chinese Name9-硝基喜树碱
Synonymsrubitecan; MFCD06656294; PYRIDOXINE 3,4-DIPALMITATE; 9-nitro-20(s)-camptothecin; (4S)-4-Ethyl-4-hydroxy-10-nitro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; Orathecin
Molecular FormulaC20H15N3O6
Molecular Weight393.35
Purity≥98 (HPLC)
Density1.6±0.1 g/cm3
Boiling Point816.3±65.0 °C at 760 mmHg
Melting Point182-186 °C
Appearancepowder
Storage ConditionRoom temp
ApplicationRubitecan (RFS 2000), a camptothecin derivative, is an orally active topoisomerase I inhibitor with broad antitumor activity that induces protein-linked DNA single-strand breaks, thereby blocking DNA
PubChem ID329824025
MDL NumberMFCD06656294
SMILESCC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(cccc5nc34)[N+]([O-])=O)C2=O
InChI1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
InChI KeyVHXNKPBCCMUMSW-FQEVSTJZSA-N
NACRES CodeNA.77
UNSPSC12352204
Hazard SymbolsTransport
MSDSmsds/12353_1_91421_42_0.pdf
BioactivityRubitecan (RFS 2000), a camptothecin derivative, is an orally active topoisomerase I inhibitor with broad antitumor activity, and induces protein-linked DNA single-strand breaks, thereby blocking DNA and RNA synthesis in dividing cells[1][2][3]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> Topoisomerase Target Topoisomerase I[1] In Vitro Rubitecan (RFS 2000) inhibits U-CH1, U-CH2, and CCL4 cells with IC50s 0.32, 0.83, and 7.7 µM, respectively[4]. References [1]. Burris HA 3rd, et al. Phase II trial of oral rubitecan in previously treated pancreatic cancer patients. Oncologist. 2005 Mar;10(3):183-90. [2]. Rubitecan: 9-NC, 9-Nitro-20(S)-camptothecin, 9-nitro-camptothecin, 9-nitrocamptothecin, RFS 2000, RFS2000. Drugs R D. 2004;5(5):305-11. [3]. Rubitecan [4]. Xia M, et al. Identification of repurposed small molecule drugs for chordoma therapy. Cancer Biol Ther. 2013 Jul;14(7):638-47. Chemical & Physical Properties Density 1.6±0.1 g/cm3 Boiling Point 816.3±65.0 °C at 760 mmHg Melting Point 182-186ºC Molecular Formula C20H15N3O6 Molecular Weight 393.350 Flash Point 447.5±34.3 °C Exact Mass 393.096100 PSA 127.24000 LogP 1.38 Vapour Pressure 0.0±3.1 mmHg at 25°C Index of Refraction 1.762 InChIKey VHXNKPBCCMUMSW-FQEVSTJZSA-N SMILES CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1 Storage condition Room temp
Use ofRubitecan (RFS 2000), a camptothecin derivative, is an orally active topoisomerase I inhibitor with broad antitumor activity, and induces protein-linked DNA single-strand breaks, thereby blocking DNA and RNA synthesis in dividing cells[1][2][3]. Properties Articles27 Name 9-Nitrocamptothecin Synonym More Synonyms rubitecan Biological Activity Description Rubitecan (RFS 2000), a camptothecin derivative, is an orally active topoisomerase I inhibitor with broad antitumor activity, and induces protein-linked DNA single-strand breaks, thereby blocking DNA and RNA synthesis in dividing cells[1][2][3]. Related Catalog Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> Topoisomerase Topoisomerase I[1] References [1]. Burris HA 3rd, et al. Phase II trial of oral rubitecan in previously treated pancreatic cancer patients. Oncologist. 2005 Mar;10(3):183-90. [2]. Rubitecan: 9-NC, 9-Nitro-20(S)-camptothecin, 9-nitro-camptothecin, 9-nitrocamptothecin, RFS 2000, RFS2000. Drugs R D. 2004;5(5):305-11. [3]. Rubitecan [4]. Xia M, et al. Identification of repurposed small molecule drugs for chordoma therapy. Cancer Biol Ther. 2013 Jul;14(7):638-47. Chemical & Physical Properties Molecular Formula C20H15N3O6 Exact Mass 393.096100 PSA 127.24000 Index of Refraction 1.762 InChIKey VHXNKPBCCMUMSW-FQEVSTJZSA-N Storage condition Room temp
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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