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Rabacfosadine

CAT: 0013-GTR19232083-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232083-05Size:50 mg
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Description
Rabacfosadine (GS-9219) is a novel prodrug designed to selectively deliver the cytotoxic nucleotide analog PMEG into tumor lymphocytes. It has been investigated in preclinical in vivo models for the treatment of B-cell lymphomas and leukemias, demonstrating targeted anti-tumor activity.
CAS Number
859209-74-8
Product Name Alternative
VDC 1101, VDC1101, VDC-1101, Rabacfosadine, GS9219, GS-9219, GS 9219, Nucleoside Antimetabolite/Analog, NucleosideAntimetabolite, Nucleoside Antimetabolite, Analog
Field of Research
Cell Biology, Molecular Biology
Purity
99.06% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.27 mM) ; DMSO:80 mg/mL (151.94 mM)
Smiles
C (COCP (N[C@H] (C (OCC) =O) C) (N[C@H] (C (OCC) =O) C) =O) N1C=2C (=C (NC3CC3) N=C (N) N2) N=C1
Molecular Formula
C21H35N8O6P
Molecular Weight
526.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester

Rabacfosadine has been used in trials studying the treatment of Multiple Myeloma, Non-Hodgkin's Lymphoma, and Chronic Lymphocytic Leukemia.

CAS Number859209-74-8
PubChem CID16047979
IUPAC Nameethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
Molecular FormulaC21H35N8O6P
Molecular Weight526.5
XLogP0.5
Topological Polar Surface Area185
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Heavy Atom Count36
Formal Charge0
Complexity760
SMILES
CCOC(=O)[C@H](C)NP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)NC3CC3)N[C@@H](C)C(=O)OCC
InChI
InChI=1S/C21H35N8O6P/c1-5-34-19(30)13(3)27-36(32,28-14(4)20(31)35-6-2)12-33-10-9-29-11-23-16-17(24-15-7-8-15)25-21(22)26-18(16)29/h11,13-15H,5-10,12H2,1-4H3,(H2,27,28,32)(H3,22,24,25,26)/t13-,14-/m0/s1
InChIKey
ANSPEDQTHURSFQ-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester
CAS: 859209-74-8
CID: 16047979
Formula: C21H35N8O6P
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count17
Exact Mass526.24171786
Monoisotopic Mass526.24171786
Topological Polar Surface Area185 Ų
Heavy Atom Count36
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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