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Valrubicin

CAS No.:
56124-62-0
Catalog Number:
AG00DEBH
Molecular Formula:
C34H36F3NO13
Molecular Weight:
723.6437
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$236
- +
10mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$1140
- +
100mg
99%
1 week
United States
$1973
- +
Product Description
Catalog Number:
AG00DEBH
Chemical Name:
Valrubicin
CAS Number:
56124-62-0
Molecular Formula:
C34H36F3NO13
Molecular Weight:
723.6437
MDL Number:
MFCD01939322
IUPAC Name:
[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
InChI:
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
InChI Key:
ZOCKGBMQLCSHFP-KQRAQHLDSA-N
SMILES:
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
UNII:
2C6NUM6878
Properties
Complexity:
1350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
723.214g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
723.651g/mol
Monoisotopic Mass:
723.214g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicological sciences : an official journal of the Society of Toxicology 20131101
Topical valrubicin application reduces skin inflammation in murine models. The British journal of dermatology 20120801
Enhanced solubility and functionality of valrubicin (AD-32) against cancer cells upon encapsulation into biocompatible nanoparticles. International journal of nanomedicine 20120101
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Factors affecting valrubicin response in patients with bacillus Calmette-Guérin-refractory bladder carcinoma in situ. Postgraduate medicine 20110501
Topical application of valrubicin has a beneficial effect on developing skin tumors. Carcinogenesis 20100801
Valrubicin in a topical formulation treats psoriasis in a xenograft transplantation model. The Journal of investigative dermatology 20100201
Bladder cancer: current optimal intravesical treatment. Urologic nursing 20051001
Preparative counter-current chromatography purification of valrubicin (AD-32) from crude synthetic drug using upright coil planet centrifuge with four multilayer coils connected in series. Journal of chromatography. A 20050527
[International therapeutics]. Farmacia hospitalaria : organo oficial de expresion cientifica de la Sociedad Espanola de Farmacia Hospitalaria 20030101
Risk of continued intravesical therapy and delayed cystectomy in BCG-refractory superficial bladder cancer: an investigational approach. Urology 20010901
The use of valrubicin for the chemoresection of superficial bladder cancer -- a marker lesion study. European urology 20010601
Intravesical valrubicin in the treatment of carcinoma in situ of the bladder. Expert opinion on pharmacotherapy 20010601
Drug handling questioned. Urologic nursing 20010601
Valrubicin: an alternative to radical cystectomy for carcinoma in situ of the bladder. Urologic nursing 20010201
Medical management of patients with refractory carcinoma in situ of the bladder. Drugs & aging 20010101
Evaluation of anti-SIV potential of anti-neoplastic anthracyclines. Proceedings of the Western Pharmacology Society 19920101
Low heart and skin toxicity of a tetrahydropyranyl derivative of adriamycin (THP-ADM) as observed by electron and light microscopy. The Journal of antibiotics 19791001
Properties