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Valrubicin

Valrubicin structure

CAS No:
56124-62-0
Formula:
C34H36F3NO13
Chemical Name:
Valrubicin
Synonyms:
Pentanoic acid,2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester;Pentanoic acid,2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester,(2S-cis)-;Pentanoic acid,2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester;AD 32;Antibiotic AD 32;N-Trifluoroacetyladriamycin 14-valerate;NSC 246131;N-Trifluoroacetyldoxorubicin 14-valerate;Valrubicin;Valstar;Trifluoroacetyladriamycin 14-valerate;136816-53-0
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

Valrubicin is a chemotherapy agent, inhibits TPA- and PDBu-induced PKC activation with IC50s of 0.85 and 1.25 μM, respectively, and has antitumor and antiinflammatory activity.

Solid

Valrubicin Basic Attributes

Molecular Weight：

723.64

Exact Mass：

723.64

EC Number：

1312995-182-4

NSC Number：

246131

HScode：

2941906000

Characteristics

PSA：

215

XLogP3：

Density：

1.5±0.1 g/cm3

Melting Point：

116-117 °C

Boiling Point：

135-136 C

Flash Point：

478.6±34.3 °C

Refractive Index：

1.619

Water Solubility：

H2O: insoluble

Toxicity：

dnd-hmn:lym 3 mg/L CJBIAE 58,720,80

Safety Information

Packing level：

Ⅲ

Transport codes：

2811

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P312, P304+P340, P308+P313, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H301

Drug Information

MeSH：

Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II. (See all compounds classified as Topoisomerase II Inhibitors.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

AD 32

Valrubicin Use and Manufacturing

Chemotherapy drug used to treat cancer of the bladder.

Computed Properties

Molecular Weight:723.6
XLogP3:4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:11
Exact Mass:723.21387469
Monoisotopic Mass:723.21387469
Topological Polar Surface Area:215
Heavy Atom Count:51
Complexity:1350
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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