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Aldoxorubicin

CAT: 0804-HY-16261-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0804-HY-16261-01Size:5 mg
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Description
Aldoxorubicin (INNO-206) is an albumin-binding proagent of Doxorubicin (DNA topoisomerase II inhibitor), which is released from albumin under acidic conditions. Aldoxorubicin (INNO-206) has potent antitumor activities in various cancer cell lines and in murine tumor models.
CAS Number
1361644-26-9
Product Name Alternative
INNO-206; DOXO-EMCH
UNSPSC
12352203
Hazard Statement
H315, H317, H318, H334, H335, H341, H361, H370, H413
Target
ADC Payload; Topoisomerase
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/INNO-206.html
Purity
95.56
Solubility
DMSO : ≥ 50 mg/mL
Smiles
[H][C@@]1(O[C@H]2C[C@@](/C(CO)=N/NC(CCCCCN3C(C=CC3=O)=O)=O)(O)CC(C2=C4O)=C(O)C5=C4C(C6=C(OC)C=CC=C6C5=O)=O)O[C@@H](C)[C@@H](O)[C@@H](N)C1
Molecular Formula
C37H42N4O13
Molecular Weight
750.75
Precautions
H315, H317, H318, H334, H335, H341, H361, H370, H413
References & Citations
[1]Eric Sanchez, et al. Anti-Myeloma Effects of the Novel Anthracycline Derivative INNO-206. Clin Cancer Res.2012 18; 3856.|[2]Kratz, F. INNO-206 (DOXO-EMCH), an Albumin-Binding Prodrug of Doxorubicin Under Development for Phase II Studies. Current Bioactive Compounds, 2011, 7 (1) : 33-38 (6) |[3]Graeser R, et al. INNO-206, the (6-maleimidocaproyl hydrazone derivative of doxorubicin), shows superior antitumor efficacy compared to doxorubicin in different tumor xenograft models and in an orthotopic pancreas carcinoma model. Invest New Drugs. 2010 F|[4]Walker L, et al. Cell penetrating peptides fused to a thermally targeted biopolymer drug carrier improve the delivery and antitumor efficacy of an acid-sensitive doxorubicin derivative. Int J Pharm. 2012 Oct 15;436 (1-2) :825-32.
Shipping Conditions
Dry Ice
Storage Conditions
-80°C, stored under nitrogen
Scientific Category
ADC Related
Clinical Information
Phase 3
Isoform
Daunorubicins/Doxorubicins; Topo II

Chemical Information

Aldoxorubicin

Aldoxorubicin, an antineoplastic agents, is an albumin-binding prodrug of doxorubicin.

CAS Number1361644-26-9
PubChem CID9810709
IUPAC NameN-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide
Molecular FormulaC37H42N4O13
Molecular Weight750.7
XLogP1.3
Topological Polar Surface Area268
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count54
Formal Charge0
Complexity1510
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O
InChI
InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1
InChIKey
OBMJQRLIQQTJLR-USGQOSEYSA-N
Chemical Structure
2D Structure
2D structure of Aldoxorubicin
CAS: 1361644-26-9
CID: 9810709
Formula: C37H42N4O13
MW: 750.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight750.7
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass750.27483741
Monoisotopic Mass750.27483741
Topological Polar Surface Area268 Ų
Heavy Atom Count54
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T11090L-01Aldoxorubicin
B8916-10Aldoxorubicin (hydrochloride)
GTR19206017-01Aldoxorubicin hydrochloride
201550Aldoxorubicin HCl
A15128-100Aldoxorubicin 100mg
A15128-5Aldoxorubicin 5mg
MBS130464-01Aldoxorubicin•HCl
A15128-50Aldoxorubicin 50mg
A15128-10Aldoxorubicin 10mg
MBS384642-01INNO-206 (Aldoxorubicin)

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