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Sapacitabine

CAT: 1410-M12120-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M12120-02Size:2 mg
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Description
An orally available, nucleoside analog prodrug of CNDAC that interferes with DNA synthesis by causing single-strand DNA breaks.
CAS Number
151823-14-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
490.64
Molecular Formula
C26H42N4O5
Notes
Research use only, not for human use.
Receptor
Nucleoside Antimetabolite/Analog

Chemical Information

Sapacitabine

Sapacitabine is a nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML). It has a role as an antimetabolite, an antineoplastic agent, a prodrug and a DNA synthesis inhibitor. It is a secondary carboxamide, a nitrile and a nucleoside analogue. It is functionally related to a CNDAC and a hexadecanoic acid.

CAS Number151823-14-2
PubChem CID153970
IUPAC NameN-[1-[(2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide
Molecular FormulaC26H42N4O5
Molecular Weight490.6
XLogP5.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count35
Formal Charge0
Complexity775
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N
InChI
InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1
InChIKey
LBGFKUUHOPIEMA-PEARBKPGSA-N
Chemical Structure
2D Structure
2D structure of Sapacitabine
CAS: 151823-14-2
CID: 153970
Formula: C26H42N4O5
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass490.31552045
Monoisotopic Mass490.31552045
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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